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ID,Question_std,Question_CoT,Question_chem,Reaction1,Reaction2,Intermediate
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0, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CN1C(=O)C2(CC(c3ccccc3F)Oc3ccc(-c4cccc(C#N)c4)cc32)N=C1N</SMILES> starting from <SMILES>CSC1=NC2(CC(c3ccccc3F)Oc3ccc(Br)cc32)C(=O)N1C</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CSC1=NC2(CC(c3ccccc3F)Oc3ccc(Br)cc32)C(=O)N1C</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CN1C(=O)C2(CC(c3ccccc3F)Oc3ccc(-c4cccc(C#N)c4)cc32)N=C1N</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CN1C(=O)C2(CC(c3ccccc3F)Oc3ccc(-c4cccc(C#N)c4)cc32)N=C1N</SMILES> starting from <SMILES>CSC1=NC2(CC(c3ccccc3F)Oc3ccc(Br)cc32)C(=O)N1C</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CSC1=NC2(CC(c3ccccc3F)Oc3ccc(Br)cc32)C(=O)N1C</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CN1C(=O)C2(CC(c3ccccc3F)Oc3ccc(-c4cccc(C#N)c4)cc32)N=C1N</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CN1C(=O)C2(CC(c3ccccc3F)Oc3ccc(-c4cccc(C#N)c4)cc32)N=C1N</SMILES> starting from <SMILES>CSC1=NC2(CC(c3ccccc3F)Oc3ccc(Br)cc32)C(=O)N1C</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CSC1=NC2(CC(c3ccccc3F)Oc3ccc(Br)cc32)C(=O)N1C</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CN1C(=O)C2(CC(c3ccccc3F)Oc3ccc(-c4cccc(C#N)c4)cc32)N=C1N</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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1, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CCN(c1cc(-c2ccc(CN3CCOCC3)c(C#N)c2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1</SMILES> starting from <SMILES>N#Cc1cc(Br)ccc1CBr</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>N#Cc1cc(Br)ccc1CBr</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CCN(c1cc(-c2ccc(CN3CCOCC3)c(C#N)c2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CCN(c1cc(-c2ccc(CN3CCOCC3)c(C#N)c2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1</SMILES> starting from <SMILES>N#Cc1cc(Br)ccc1CBr</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>N#Cc1cc(Br)ccc1CBr</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CCN(c1cc(-c2ccc(CN3CCOCC3)c(C#N)c2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CCN(c1cc(-c2ccc(CN3CCOCC3)c(C#N)c2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1</SMILES> starting from <SMILES>N#Cc1cc(Br)ccc1CBr</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>N#Cc1cc(Br)ccc1CBr</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CCN(c1cc(-c2ccc(CN3CCOCC3)c(C#N)c2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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2, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>COc1c(C(C)n2nc(C(F)F)c3c(N)ncnc32)cc(Cl)c(C)c1C1CN(C(C)C)C1</SMILES> starting from <SMILES>COc1c(C(C)n2nc(C(F)F)c3c(N)ncnc32)cc(Cl)c(C)c1C1CN(C(=O)OC(C)(C)C)C1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>COc1c(C(C)n2nc(C(F)F)c3c(N)ncnc32)cc(Cl)c(C)c1C1CN(C(=O)OC(C)(C)C)C1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COc1c(C(C)n2nc(C(F)F)c3c(N)ncnc32)cc(Cl)c(C)c1C1CN(C(C)C)C1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>COc1c(C(C)n2nc(C(F)F)c3c(N)ncnc32)cc(Cl)c(C)c1C1CN(C(C)C)C1</SMILES> starting from <SMILES>COc1c(C(C)n2nc(C(F)F)c3c(N)ncnc32)cc(Cl)c(C)c1C1CN(C(=O)OC(C)(C)C)C1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>COc1c(C(C)n2nc(C(F)F)c3c(N)ncnc32)cc(Cl)c(C)c1C1CN(C(=O)OC(C)(C)C)C1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COc1c(C(C)n2nc(C(F)F)c3c(N)ncnc32)cc(Cl)c(C)c1C1CN(C(C)C)C1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>COc1c(C(C)n2nc(C(F)F)c3c(N)ncnc32)cc(Cl)c(C)c1C1CN(C(C)C)C1</SMILES> starting from <SMILES>COc1c(C(C)n2nc(C(F)F)c3c(N)ncnc32)cc(Cl)c(C)c1C1CN(C(=O)OC(C)(C)C)C1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>COc1c(C(C)n2nc(C(F)F)c3c(N)ncnc32)cc(Cl)c(C)c1C1CN(C(=O)OC(C)(C)C)C1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COc1c(C(C)n2nc(C(F)F)c3c(N)ncnc32)cc(Cl)c(C)c1C1CN(C(C)C)C1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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3, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>O=C(c1ccc(C2CC2)c(Cc2ccc(F)cc2)n1)N1CCCC12CCNCC2</SMILES> starting from <SMILES>CC(C)(C)OC(=O)N1CCC2(CCCN2)CC1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)(C)OC(=O)N1CCC2(CCCN2)CC1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>O=C(c1ccc(C2CC2)c(Cc2ccc(F)cc2)n1)N1CCCC12CCNCC2</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>O=C(c1ccc(C2CC2)c(Cc2ccc(F)cc2)n1)N1CCCC12CCNCC2</SMILES> starting from <SMILES>CC(C)(C)OC(=O)N1CCC2(CCCN2)CC1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)(C)OC(=O)N1CCC2(CCCN2)CC1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>O=C(c1ccc(C2CC2)c(Cc2ccc(F)cc2)n1)N1CCCC12CCNCC2</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>O=C(c1ccc(C2CC2)c(Cc2ccc(F)cc2)n1)N1CCCC12CCNCC2</SMILES> starting from <SMILES>CC(C)(C)OC(=O)N1CCC2(CCCN2)CC1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)(C)OC(=O)N1CCC2(CCCN2)CC1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>O=C(c1ccc(C2CC2)c(Cc2ccc(F)cc2)n1)N1CCCC12CCNCC2</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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4, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>COc1c(OC(F)F)ccc(-c2cccc3c2CCC3=O)c1O</SMILES> starting from <SMILES>COCOc1c(Br)ccc(OC(F)F)c1OC</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>COCOc1c(Br)ccc(OC(F)F)c1OC</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COc1c(OC(F)F)ccc(-c2cccc3c2CCC3=O)c1O</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>COc1c(OC(F)F)ccc(-c2cccc3c2CCC3=O)c1O</SMILES> starting from <SMILES>COCOc1c(Br)ccc(OC(F)F)c1OC</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>COCOc1c(Br)ccc(OC(F)F)c1OC</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COc1c(OC(F)F)ccc(-c2cccc3c2CCC3=O)c1O</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>COc1c(OC(F)F)ccc(-c2cccc3c2CCC3=O)c1O</SMILES> starting from <SMILES>COCOc1c(Br)ccc(OC(F)F)c1OC</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>COCOc1c(Br)ccc(OC(F)F)c1OC</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COc1c(OC(F)F)ccc(-c2cccc3c2CCC3=O)c1O</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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5, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)(C)OC(=O)N1CCC(CSCC(=O)c2ccncc2)CC1</SMILES> starting from <SMILES>BrBr</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>BrBr</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)(C)OC(=O)N1CCC(CSCC(=O)c2ccncc2)CC1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)(C)OC(=O)N1CCC(CSCC(=O)c2ccncc2)CC1</SMILES> starting from <SMILES>BrBr</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>BrBr</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)(C)OC(=O)N1CCC(CSCC(=O)c2ccncc2)CC1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)(C)OC(=O)N1CCC(CSCC(=O)c2ccncc2)CC1</SMILES> starting from <SMILES>BrBr</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>BrBr</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)(C)OC(=O)N1CCC(CSCC(=O)c2ccncc2)CC1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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6, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>COc1cc2c(C3CCN(C(=O)OC(C)(C)C)CC3)ncnc2cc1OCCCN1CCN(C)CC1</SMILES> starting from <SMILES>CC(C)(C)OC(=O)N1CCC(c2ncnc3cc(F)c(F)cc23)CC1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)(C)OC(=O)N1CCC(c2ncnc3cc(F)c(F)cc23)CC1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COc1cc2c(C3CCN(C(=O)OC(C)(C)C)CC3)ncnc2cc1OCCCN1CCN(C)CC1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>COc1cc2c(C3CCN(C(=O)OC(C)(C)C)CC3)ncnc2cc1OCCCN1CCN(C)CC1</SMILES> starting from <SMILES>CC(C)(C)OC(=O)N1CCC(c2ncnc3cc(F)c(F)cc23)CC1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)(C)OC(=O)N1CCC(c2ncnc3cc(F)c(F)cc23)CC1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COc1cc2c(C3CCN(C(=O)OC(C)(C)C)CC3)ncnc2cc1OCCCN1CCN(C)CC1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>COc1cc2c(C3CCN(C(=O)OC(C)(C)C)CC3)ncnc2cc1OCCCN1CCN(C)CC1</SMILES> starting from <SMILES>CC(C)(C)OC(=O)N1CCC(c2ncnc3cc(F)c(F)cc23)CC1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)(C)OC(=O)N1CCC(c2ncnc3cc(F)c(F)cc23)CC1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COc1cc2c(C3CCN(C(=O)OC(C)(C)C)CC3)ncnc2cc1OCCCN1CCN(C)CC1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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7, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>O=C(O)c1cc2ccc([N+](=O)[O-])cc2o1</SMILES> starting from <SMILES>O=[N+]([O-])c1ccc(CO)c(O)c1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>O=[N+]([O-])c1ccc(CO)c(O)c1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>O=C(O)c1cc2ccc([N+](=O)[O-])cc2o1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>O=C(O)c1cc2ccc([N+](=O)[O-])cc2o1</SMILES> starting from <SMILES>O=[N+]([O-])c1ccc(CO)c(O)c1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>O=[N+]([O-])c1ccc(CO)c(O)c1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>O=C(O)c1cc2ccc([N+](=O)[O-])cc2o1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>O=C(O)c1cc2ccc([N+](=O)[O-])cc2o1</SMILES> starting from <SMILES>O=[N+]([O-])c1ccc(CO)c(O)c1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>O=[N+]([O-])c1ccc(CO)c(O)c1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>O=C(O)c1cc2ccc([N+](=O)[O-])cc2o1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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8, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)(C)OC(=O)N1CCC(C=O)(CCO[Si](C)(C)C(C)(C)C)CC1</SMILES> starting from <SMILES>COC(=O)C1(CCO[Si](C)(C)C(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>COC(=O)C1(CCO[Si](C)(C)C(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)(C)OC(=O)N1CCC(C=O)(CCO[Si](C)(C)C(C)(C)C)CC1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)(C)OC(=O)N1CCC(C=O)(CCO[Si](C)(C)C(C)(C)C)CC1</SMILES> starting from <SMILES>COC(=O)C1(CCO[Si](C)(C)C(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>COC(=O)C1(CCO[Si](C)(C)C(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)(C)OC(=O)N1CCC(C=O)(CCO[Si](C)(C)C(C)(C)C)CC1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)(C)OC(=O)N1CCC(C=O)(CCO[Si](C)(C)C(C)(C)C)CC1</SMILES> starting from <SMILES>COC(=O)C1(CCO[Si](C)(C)C(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>COC(=O)C1(CCO[Si](C)(C)C(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)(C)OC(=O)N1CCC(C=O)(CCO[Si](C)(C)C(C)(C)C)CC1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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9, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)c(F)c2)[C@H](/C=N/O)C1</SMILES> starting from <SMILES>CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)c(F)c2)[C@H](CO)C1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)c(F)c2)[C@H](CO)C1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)c(F)c2)[C@H](/C=N/O)C1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)c(F)c2)[C@H](/C=N/O)C1</SMILES> starting from <SMILES>CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)c(F)c2)[C@H](CO)C1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)c(F)c2)[C@H](CO)C1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)c(F)c2)[C@H](/C=N/O)C1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)c(F)c2)[C@H](/C=N/O)C1</SMILES> starting from <SMILES>CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)c(F)c2)[C@H](CO)C1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)c(F)c2)[C@H](CO)C1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)c(F)c2)[C@H](/C=N/O)C1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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10, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>FC(F)(F)c1ccc(OCc2ccccc2)c(C2=CCCCC2)c1</SMILES> starting from <SMILES>FC(F)(F)c1ccc(OCc2ccccc2)c(I)c1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>FC(F)(F)c1ccc(OCc2ccccc2)c(I)c1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>FC(F)(F)c1ccc(OCc2ccccc2)c(C2=CCCCC2)c1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>FC(F)(F)c1ccc(OCc2ccccc2)c(C2=CCCCC2)c1</SMILES> starting from <SMILES>FC(F)(F)c1ccc(OCc2ccccc2)c(I)c1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>FC(F)(F)c1ccc(OCc2ccccc2)c(I)c1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>FC(F)(F)c1ccc(OCc2ccccc2)c(C2=CCCCC2)c1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>FC(F)(F)c1ccc(OCc2ccccc2)c(C2=CCCCC2)c1</SMILES> starting from <SMILES>FC(F)(F)c1ccc(OCc2ccccc2)c(I)c1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>FC(F)(F)c1ccc(OCc2ccccc2)c(I)c1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>FC(F)(F)c1ccc(OCc2ccccc2)c(C2=CCCCC2)c1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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11, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC1(C)CCC(=O)CC1S(=O)(=O)c1ccccc1</SMILES> starting from <SMILES>CC(C)C=O</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)C=O</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC1(C)CCC(=O)CC1S(=O)(=O)c1ccccc1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC1(C)CCC(=O)CC1S(=O)(=O)c1ccccc1</SMILES> starting from <SMILES>CC(C)C=O</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)C=O</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC1(C)CCC(=O)CC1S(=O)(=O)c1ccccc1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC1(C)CCC(=O)CC1S(=O)(=O)c1ccccc1</SMILES> starting from <SMILES>CC(C)C=O</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)C=O</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC1(C)CCC(=O)CC1S(=O)(=O)c1ccccc1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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12, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)CC(=O)N1CCC[C@@H](CO)C1</SMILES> starting from <SMILES>O=C(O)[C@@H]1CCCNC1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>O=C(O)[C@@H]1CCCNC1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)CC(=O)N1CCC[C@@H](CO)C1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)CC(=O)N1CCC[C@@H](CO)C1</SMILES> starting from <SMILES>O=C(O)[C@@H]1CCCNC1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>O=C(O)[C@@H]1CCCNC1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)CC(=O)N1CCC[C@@H](CO)C1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)CC(=O)N1CCC[C@@H](CO)C1</SMILES> starting from <SMILES>O=C(O)[C@@H]1CCCNC1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>O=C(O)[C@@H]1CCCNC1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)CC(=O)N1CCC[C@@H](CO)C1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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13, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>N#Cc1cc(NC(=O)c2cc(-c3ccccn3)c(F)cc2Cl)n(-c2ccccc2)n1</SMILES> starting from <SMILES>COC(=O)c1cc(-c2ccccn2)c(F)cc1Cl</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>COC(=O)c1cc(-c2ccccn2)c(F)cc1Cl</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>N#Cc1cc(NC(=O)c2cc(-c3ccccn3)c(F)cc2Cl)n(-c2ccccc2)n1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>N#Cc1cc(NC(=O)c2cc(-c3ccccn3)c(F)cc2Cl)n(-c2ccccc2)n1</SMILES> starting from <SMILES>COC(=O)c1cc(-c2ccccn2)c(F)cc1Cl</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>COC(=O)c1cc(-c2ccccn2)c(F)cc1Cl</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>N#Cc1cc(NC(=O)c2cc(-c3ccccn3)c(F)cc2Cl)n(-c2ccccc2)n1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>N#Cc1cc(NC(=O)c2cc(-c3ccccn3)c(F)cc2Cl)n(-c2ccccc2)n1</SMILES> starting from <SMILES>COC(=O)c1cc(-c2ccccn2)c(F)cc1Cl</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>COC(=O)c1cc(-c2ccccn2)c(F)cc1Cl</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>N#Cc1cc(NC(=O)c2cc(-c3ccccn3)c(F)cc2Cl)n(-c2ccccc2)n1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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14, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>O=C1C[C@H](c2ccc(Cl)cc2/C=C/c2ccccc2)CN1</SMILES> starting from <SMILES>Nc1cc([C@@H]2CNC(=O)C2)c(Br)cc1Cl</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>Nc1cc([C@@H]2CNC(=O)C2)c(Br)cc1Cl</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>O=C1C[C@H](c2ccc(Cl)cc2/C=C/c2ccccc2)CN1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>O=C1C[C@H](c2ccc(Cl)cc2/C=C/c2ccccc2)CN1</SMILES> starting from <SMILES>Nc1cc([C@@H]2CNC(=O)C2)c(Br)cc1Cl</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>Nc1cc([C@@H]2CNC(=O)C2)c(Br)cc1Cl</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>O=C1C[C@H](c2ccc(Cl)cc2/C=C/c2ccccc2)CN1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>O=C1C[C@H](c2ccc(Cl)cc2/C=C/c2ccccc2)CN1</SMILES> starting from <SMILES>Nc1cc([C@@H]2CNC(=O)C2)c(Br)cc1Cl</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>Nc1cc([C@@H]2CNC(=O)C2)c(Br)cc1Cl</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>O=C1C[C@H](c2ccc(Cl)cc2/C=C/c2ccccc2)CN1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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15, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CCCCNc1nc(N(CCCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)nc(N(CCCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1</SMILES> starting from <SMILES>CCCCN</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CCCCN</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CCCCNc1nc(N(CCCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)nc(N(CCCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CCCCNc1nc(N(CCCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)nc(N(CCCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1</SMILES> starting from <SMILES>CCCCN</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CCCCN</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CCCCNc1nc(N(CCCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)nc(N(CCCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CCCCNc1nc(N(CCCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)nc(N(CCCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1</SMILES> starting from <SMILES>CCCCN</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CCCCN</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CCCCNc1nc(N(CCCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)nc(N(CCCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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16, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CCCCCCCCCCCCCCCCCCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)nc(N)nc21</SMILES> starting from <SMILES>CC(=O)OC[C@H]1O[C@@H](n2cnc3c(Cl)nc(N)nc32)[C@@](O)(C(C)=O)[C@@]1(O)C(C)=O</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CC(=O)OC[C@H]1O[C@@H](n2cnc3c(Cl)nc(N)nc32)[C@@](O)(C(C)=O)[C@@]1(O)C(C)=O</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CCCCCCCCCCCCCCCCCCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)nc(N)nc21</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CCCCCCCCCCCCCCCCCCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)nc(N)nc21</SMILES> starting from <SMILES>CC(=O)OC[C@H]1O[C@@H](n2cnc3c(Cl)nc(N)nc32)[C@@](O)(C(C)=O)[C@@]1(O)C(C)=O</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CC(=O)OC[C@H]1O[C@@H](n2cnc3c(Cl)nc(N)nc32)[C@@](O)(C(C)=O)[C@@]1(O)C(C)=O</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CCCCCCCCCCCCCCCCCCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)nc(N)nc21</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CCCCCCCCCCCCCCCCCCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)nc(N)nc21</SMILES> starting from <SMILES>CC(=O)OC[C@H]1O[C@@H](n2cnc3c(Cl)nc(N)nc32)[C@@](O)(C(C)=O)[C@@]1(O)C(C)=O</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CC(=O)OC[C@H]1O[C@@H](n2cnc3c(Cl)nc(N)nc32)[C@@](O)(C(C)=O)[C@@]1(O)C(C)=O</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CCCCCCCCCCCCCCCCCCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)nc(N)nc21</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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17, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>NCC(O)C1CC(F)(F)C1</SMILES> starting from <SMILES>O=CC1CC(F)(F)C1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>O=CC1CC(F)(F)C1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>NCC(O)C1CC(F)(F)C1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>NCC(O)C1CC(F)(F)C1</SMILES> starting from <SMILES>O=CC1CC(F)(F)C1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>O=CC1CC(F)(F)C1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>NCC(O)C1CC(F)(F)C1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>NCC(O)C1CC(F)(F)C1</SMILES> starting from <SMILES>O=CC1CC(F)(F)C1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>O=CC1CC(F)(F)C1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>NCC(O)C1CC(F)(F)C1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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18, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>COc1ccnc2[nH]cc(C(c3ccccc3)C(C(=O)O)C(=O)O)c12</SMILES> starting from <SMILES>COc1ccnc2[nH]ccc12</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>COc1ccnc2[nH]ccc12</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COc1ccnc2[nH]cc(C(c3ccccc3)C(C(=O)O)C(=O)O)c12</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>COc1ccnc2[nH]cc(C(c3ccccc3)C(C(=O)O)C(=O)O)c12</SMILES> starting from <SMILES>COc1ccnc2[nH]ccc12</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>COc1ccnc2[nH]ccc12</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COc1ccnc2[nH]cc(C(c3ccccc3)C(C(=O)O)C(=O)O)c12</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>COc1ccnc2[nH]cc(C(c3ccccc3)C(C(=O)O)C(=O)O)c12</SMILES> starting from <SMILES>COc1ccnc2[nH]ccc12</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>COc1ccnc2[nH]ccc12</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COc1ccnc2[nH]cc(C(c3ccccc3)C(C(=O)O)C(=O)O)c12</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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19, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)(C)OC(=O)N1CCC(c2ncnc3c2oc2ccc(Cl)cc23)C1</SMILES> starting from <SMILES>CC(C)(C)OC(=O)N1CCC(O)C1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)(C)OC(=O)N1CCC(O)C1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)(C)OC(=O)N1CCC(c2ncnc3c2oc2ccc(Cl)cc23)C1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)(C)OC(=O)N1CCC(c2ncnc3c2oc2ccc(Cl)cc23)C1</SMILES> starting from <SMILES>CC(C)(C)OC(=O)N1CCC(O)C1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)(C)OC(=O)N1CCC(O)C1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)(C)OC(=O)N1CCC(c2ncnc3c2oc2ccc(Cl)cc23)C1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)(C)OC(=O)N1CCC(c2ncnc3c2oc2ccc(Cl)cc23)C1</SMILES> starting from <SMILES>CC(C)(C)OC(=O)N1CCC(O)C1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)(C)OC(=O)N1CCC(O)C1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)(C)OC(=O)N1CCC(c2ncnc3c2oc2ccc(Cl)cc23)C1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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20, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>Cc1c(CC(=O)O)c2cc(O)ccc2n1C(=O)c1ccc(OC(F)(F)F)cc1</SMILES> starting from <SMILES>COc1ccc(N(N)C(=O)c2ccc(OC(F)(F)F)cc2)cc1.Cl</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>COc1ccc(N(N)C(=O)c2ccc(OC(F)(F)F)cc2)cc1.Cl</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Cc1c(CC(=O)O)c2cc(O)ccc2n1C(=O)c1ccc(OC(F)(F)F)cc1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>Cc1c(CC(=O)O)c2cc(O)ccc2n1C(=O)c1ccc(OC(F)(F)F)cc1</SMILES> starting from <SMILES>COc1ccc(N(N)C(=O)c2ccc(OC(F)(F)F)cc2)cc1.Cl</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>COc1ccc(N(N)C(=O)c2ccc(OC(F)(F)F)cc2)cc1.Cl</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Cc1c(CC(=O)O)c2cc(O)ccc2n1C(=O)c1ccc(OC(F)(F)F)cc1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>Cc1c(CC(=O)O)c2cc(O)ccc2n1C(=O)c1ccc(OC(F)(F)F)cc1</SMILES> starting from <SMILES>COc1ccc(N(N)C(=O)c2ccc(OC(F)(F)F)cc2)cc1.Cl</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>COc1ccc(N(N)C(=O)c2ccc(OC(F)(F)F)cc2)cc1.Cl</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Cc1c(CC(=O)O)c2cc(O)ccc2n1C(=O)c1ccc(OC(F)(F)F)cc1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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21, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CN1CCC(CN2CCN(Cc3ccccc3)CC2)(c2ccccc2)CC1</SMILES> starting from <SMILES>CN1CCC(C(=O)O)(c2ccccc2)CC1.Cl</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CN1CCC(C(=O)O)(c2ccccc2)CC1.Cl</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CN1CCC(CN2CCN(Cc3ccccc3)CC2)(c2ccccc2)CC1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CN1CCC(CN2CCN(Cc3ccccc3)CC2)(c2ccccc2)CC1</SMILES> starting from <SMILES>CN1CCC(C(=O)O)(c2ccccc2)CC1.Cl</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CN1CCC(C(=O)O)(c2ccccc2)CC1.Cl</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CN1CCC(CN2CCN(Cc3ccccc3)CC2)(c2ccccc2)CC1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CN1CCC(CN2CCN(Cc3ccccc3)CC2)(c2ccccc2)CC1</SMILES> starting from <SMILES>CN1CCC(C(=O)O)(c2ccccc2)CC1.Cl</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CN1CCC(C(=O)O)(c2ccccc2)CC1.Cl</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CN1CCC(CN2CCN(Cc3ccccc3)CC2)(c2ccccc2)CC1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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22, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CCc1cn(CC(=O)O)c(CCc2ccc(F)cc2)nc1=O</SMILES> starting from <SMILES>CC(C)(C)OC(=O)CI</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)(C)OC(=O)CI</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CCc1cn(CC(=O)O)c(CCc2ccc(F)cc2)nc1=O</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CCc1cn(CC(=O)O)c(CCc2ccc(F)cc2)nc1=O</SMILES> starting from <SMILES>CC(C)(C)OC(=O)CI</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)(C)OC(=O)CI</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CCc1cn(CC(=O)O)c(CCc2ccc(F)cc2)nc1=O</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CCc1cn(CC(=O)O)c(CCc2ccc(F)cc2)nc1=O</SMILES> starting from <SMILES>CC(C)(C)OC(=O)CI</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)(C)OC(=O)CI</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CCc1cn(CC(=O)O)c(CCc2ccc(F)cc2)nc1=O</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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23, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CCNc1cc(N)ccc1[N+](=O)[O-]</SMILES> starting from <SMILES>CC(=O)Nc1ccc([N+](=O)[O-])c(F)c1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CC(=O)Nc1ccc([N+](=O)[O-])c(F)c1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CCNc1cc(N)ccc1[N+](=O)[O-]</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CCNc1cc(N)ccc1[N+](=O)[O-]</SMILES> starting from <SMILES>CC(=O)Nc1ccc([N+](=O)[O-])c(F)c1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CC(=O)Nc1ccc([N+](=O)[O-])c(F)c1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CCNc1cc(N)ccc1[N+](=O)[O-]</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CCNc1cc(N)ccc1[N+](=O)[O-]</SMILES> starting from <SMILES>CC(=O)Nc1ccc([N+](=O)[O-])c(F)c1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CC(=O)Nc1ccc([N+](=O)[O-])c(F)c1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CCNc1cc(N)ccc1[N+](=O)[O-]</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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24, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CCC(O)(CC)CCS[C@@H](C)C1=CC[C@H]2C3=CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C</SMILES> starting from <SMILES>CCC(O)(CC)CCBr</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CCC(O)(CC)CCBr</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CCC(O)(CC)CCS[C@@H](C)C1=CC[C@H]2C3=CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CCC(O)(CC)CCS[C@@H](C)C1=CC[C@H]2C3=CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C</SMILES> starting from <SMILES>CCC(O)(CC)CCBr</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CCC(O)(CC)CCBr</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CCC(O)(CC)CCS[C@@H](C)C1=CC[C@H]2C3=CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CCC(O)(CC)CCS[C@@H](C)C1=CC[C@H]2C3=CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C</SMILES> starting from <SMILES>CCC(O)(CC)CCBr</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CCC(O)(CC)CCBr</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CCC(O)(CC)CCS[C@@H](C)C1=CC[C@H]2C3=CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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25, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>O=C1c2cnc3cccc(n23)CN1CC1CCN(C(=O)C(F)(F)F)CC1</SMILES> starting from <SMILES>CC(C)(C)OC(=O)N1CCC(CN2Cc3cccc4ncc(n34)C2=O)CC1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)(C)OC(=O)N1CCC(CN2Cc3cccc4ncc(n34)C2=O)CC1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>O=C1c2cnc3cccc(n23)CN1CC1CCN(C(=O)C(F)(F)F)CC1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>O=C1c2cnc3cccc(n23)CN1CC1CCN(C(=O)C(F)(F)F)CC1</SMILES> starting from <SMILES>CC(C)(C)OC(=O)N1CCC(CN2Cc3cccc4ncc(n34)C2=O)CC1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)(C)OC(=O)N1CCC(CN2Cc3cccc4ncc(n34)C2=O)CC1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>O=C1c2cnc3cccc(n23)CN1CC1CCN(C(=O)C(F)(F)F)CC1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>O=C1c2cnc3cccc(n23)CN1CC1CCN(C(=O)C(F)(F)F)CC1</SMILES> starting from <SMILES>CC(C)(C)OC(=O)N1CCC(CN2Cc3cccc4ncc(n34)C2=O)CC1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)(C)OC(=O)N1CCC(CN2Cc3cccc4ncc(n34)C2=O)CC1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>O=C1c2cnc3cccc(n23)CN1CC1CCN(C(=O)C(F)(F)F)CC1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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26, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(=O)NCc1ccccc1N1CCNCC1.Cl</SMILES> starting from <SMILES>CC(C)(C)OC(=O)N1CCN(c2ccccc2CN)CC1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)(C)OC(=O)N1CCN(c2ccccc2CN)CC1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(=O)NCc1ccccc1N1CCNCC1.Cl</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(=O)NCc1ccccc1N1CCNCC1.Cl</SMILES> starting from <SMILES>CC(C)(C)OC(=O)N1CCN(c2ccccc2CN)CC1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)(C)OC(=O)N1CCN(c2ccccc2CN)CC1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(=O)NCc1ccccc1N1CCNCC1.Cl</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(=O)NCc1ccccc1N1CCNCC1.Cl</SMILES> starting from <SMILES>CC(C)(C)OC(=O)N1CCN(c2ccccc2CN)CC1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)(C)OC(=O)N1CCN(c2ccccc2CN)CC1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(=O)NCc1ccccc1N1CCNCC1.Cl</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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27, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>Cn1nc(Cl)cc(C=O)c1=O</SMILES> starting from <SMILES>OB(O)C=Cc1ccccc1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>OB(O)C=Cc1ccccc1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Cn1nc(Cl)cc(C=O)c1=O</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>Cn1nc(Cl)cc(C=O)c1=O</SMILES> starting from <SMILES>OB(O)C=Cc1ccccc1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>OB(O)C=Cc1ccccc1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Cn1nc(Cl)cc(C=O)c1=O</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>Cn1nc(Cl)cc(C=O)c1=O</SMILES> starting from <SMILES>OB(O)C=Cc1ccccc1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>OB(O)C=Cc1ccccc1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Cn1nc(Cl)cc(C=O)c1=O</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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28, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)S(=O)(=O)C[C@@H]1CC(=O)CC[C@@H]1NC(=O)OCc1ccccc1</SMILES> starting from <SMILES>CC(C)SC[C@@H]1CC2(CC[C@@H]1NC(=O)OCc1ccccc1)OCCO2</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)SC[C@@H]1CC2(CC[C@@H]1NC(=O)OCc1ccccc1)OCCO2</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)S(=O)(=O)C[C@@H]1CC(=O)CC[C@@H]1NC(=O)OCc1ccccc1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)S(=O)(=O)C[C@@H]1CC(=O)CC[C@@H]1NC(=O)OCc1ccccc1</SMILES> starting from <SMILES>CC(C)SC[C@@H]1CC2(CC[C@@H]1NC(=O)OCc1ccccc1)OCCO2</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)SC[C@@H]1CC2(CC[C@@H]1NC(=O)OCc1ccccc1)OCCO2</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)S(=O)(=O)C[C@@H]1CC(=O)CC[C@@H]1NC(=O)OCc1ccccc1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)S(=O)(=O)C[C@@H]1CC(=O)CC[C@@H]1NC(=O)OCc1ccccc1</SMILES> starting from <SMILES>CC(C)SC[C@@H]1CC2(CC[C@@H]1NC(=O)OCc1ccccc1)OCCO2</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)SC[C@@H]1CC2(CC[C@@H]1NC(=O)OCc1ccccc1)OCCO2</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)S(=O)(=O)C[C@@H]1CC(=O)CC[C@@H]1NC(=O)OCc1ccccc1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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29, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(=O)Nc1cc(C(=O)O)cc(C)n1</SMILES> starting from <SMILES>COC(=O)c1cc(C)nc(Cl)c1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>COC(=O)c1cc(C)nc(Cl)c1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(=O)Nc1cc(C(=O)O)cc(C)n1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(=O)Nc1cc(C(=O)O)cc(C)n1</SMILES> starting from <SMILES>COC(=O)c1cc(C)nc(Cl)c1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>COC(=O)c1cc(C)nc(Cl)c1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(=O)Nc1cc(C(=O)O)cc(C)n1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(=O)Nc1cc(C(=O)O)cc(C)n1</SMILES> starting from <SMILES>COC(=O)c1cc(C)nc(Cl)c1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>COC(=O)c1cc(C)nc(Cl)c1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(=O)Nc1cc(C(=O)O)cc(C)n1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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30, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>COC(=O)C(=CNC1CC1)C(=O)c1cc(F)c(Cl)cc1Cl</SMILES> starting from <SMILES>O=C(Cl)c1cc(F)c(Cl)cc1Cl</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>O=C(Cl)c1cc(F)c(Cl)cc1Cl</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COC(=O)C(=CNC1CC1)C(=O)c1cc(F)c(Cl)cc1Cl</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>COC(=O)C(=CNC1CC1)C(=O)c1cc(F)c(Cl)cc1Cl</SMILES> starting from <SMILES>O=C(Cl)c1cc(F)c(Cl)cc1Cl</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>O=C(Cl)c1cc(F)c(Cl)cc1Cl</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COC(=O)C(=CNC1CC1)C(=O)c1cc(F)c(Cl)cc1Cl</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>COC(=O)C(=CNC1CC1)C(=O)c1cc(F)c(Cl)cc1Cl</SMILES> starting from <SMILES>O=C(Cl)c1cc(F)c(Cl)cc1Cl</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>O=C(Cl)c1cc(F)c(Cl)cc1Cl</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COC(=O)C(=CNC1CC1)C(=O)c1cc(F)c(Cl)cc1Cl</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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31, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)OC(=O)N1CCC(n2ncc(COc3ccc(-c4nnn(CCO[Si](C)(C)C)n4)cc3F)c2C#N)CC1</SMILES> starting from <SMILES>C[Si](C)(C)OCCn1nnc(-c2ccc(OCc3ccccc3)c(F)c2)n1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>C[Si](C)(C)OCCn1nnc(-c2ccc(OCc3ccccc3)c(F)c2)n1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)OC(=O)N1CCC(n2ncc(COc3ccc(-c4nnn(CCO[Si](C)(C)C)n4)cc3F)c2C#N)CC1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)OC(=O)N1CCC(n2ncc(COc3ccc(-c4nnn(CCO[Si](C)(C)C)n4)cc3F)c2C#N)CC1</SMILES> starting from <SMILES>C[Si](C)(C)OCCn1nnc(-c2ccc(OCc3ccccc3)c(F)c2)n1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>C[Si](C)(C)OCCn1nnc(-c2ccc(OCc3ccccc3)c(F)c2)n1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)OC(=O)N1CCC(n2ncc(COc3ccc(-c4nnn(CCO[Si](C)(C)C)n4)cc3F)c2C#N)CC1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)OC(=O)N1CCC(n2ncc(COc3ccc(-c4nnn(CCO[Si](C)(C)C)n4)cc3F)c2C#N)CC1</SMILES> starting from <SMILES>C[Si](C)(C)OCCn1nnc(-c2ccc(OCc3ccccc3)c(F)c2)n1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>C[Si](C)(C)OCCn1nnc(-c2ccc(OCc3ccccc3)c(F)c2)n1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)OC(=O)N1CCC(n2ncc(COc3ccc(-c4nnn(CCO[Si](C)(C)C)n4)cc3F)c2C#N)CC1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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32, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>Cc1ccc(C(=O)OC2CCN(Cc3ccccc3Cl)CC2)cc1</SMILES> starting from <SMILES>OC1CCNCC1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>OC1CCNCC1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Cc1ccc(C(=O)OC2CCN(Cc3ccccc3Cl)CC2)cc1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>Cc1ccc(C(=O)OC2CCN(Cc3ccccc3Cl)CC2)cc1</SMILES> starting from <SMILES>OC1CCNCC1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>OC1CCNCC1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Cc1ccc(C(=O)OC2CCN(Cc3ccccc3Cl)CC2)cc1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>Cc1ccc(C(=O)OC2CCN(Cc3ccccc3Cl)CC2)cc1</SMILES> starting from <SMILES>OC1CCNCC1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>OC1CCNCC1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Cc1ccc(C(=O)OC2CCN(Cc3ccccc3Cl)CC2)cc1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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33, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)(C)[Si](C)(C)OCCCCCN1C(=O)C(=O)c2c(Br)cc(I)cc21</SMILES> starting from <SMILES>CC(C)(C)[Si](C)(C)OCCCCCO</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)(C)[Si](C)(C)OCCCCCO</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)(C)[Si](C)(C)OCCCCCN1C(=O)C(=O)c2c(Br)cc(I)cc21</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)(C)[Si](C)(C)OCCCCCN1C(=O)C(=O)c2c(Br)cc(I)cc21</SMILES> starting from <SMILES>CC(C)(C)[Si](C)(C)OCCCCCO</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)(C)[Si](C)(C)OCCCCCO</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)(C)[Si](C)(C)OCCCCCN1C(=O)C(=O)c2c(Br)cc(I)cc21</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)(C)[Si](C)(C)OCCCCCN1C(=O)C(=O)c2c(Br)cc(I)cc21</SMILES> starting from <SMILES>CC(C)(C)[Si](C)(C)OCCCCCO</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)(C)[Si](C)(C)OCCCCCO</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)(C)[Si](C)(C)OCCCCCN1C(=O)C(=O)c2c(Br)cc(I)cc21</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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34, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>NC(=O)c1ccc2c3c1O[C@H]1C(=O)CC[C@H]4[C@@H](C2)N(CC2CCC2)CC[C@]314</SMILES> starting from <SMILES>N#Cc1ccc2c3c1O[C@H]1C4(CC[C@H]5[C@@H](C2)N(CC2CCC2)CC[C@@]351)OCCO4</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>N#Cc1ccc2c3c1O[C@H]1C4(CC[C@H]5[C@@H](C2)N(CC2CCC2)CC[C@@]351)OCCO4</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>NC(=O)c1ccc2c3c1O[C@H]1C(=O)CC[C@H]4[C@@H](C2)N(CC2CCC2)CC[C@]314</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>NC(=O)c1ccc2c3c1O[C@H]1C(=O)CC[C@H]4[C@@H](C2)N(CC2CCC2)CC[C@]314</SMILES> starting from <SMILES>N#Cc1ccc2c3c1O[C@H]1C4(CC[C@H]5[C@@H](C2)N(CC2CCC2)CC[C@@]351)OCCO4</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>N#Cc1ccc2c3c1O[C@H]1C4(CC[C@H]5[C@@H](C2)N(CC2CCC2)CC[C@@]351)OCCO4</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>NC(=O)c1ccc2c3c1O[C@H]1C(=O)CC[C@H]4[C@@H](C2)N(CC2CCC2)CC[C@]314</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>NC(=O)c1ccc2c3c1O[C@H]1C(=O)CC[C@H]4[C@@H](C2)N(CC2CCC2)CC[C@]314</SMILES> starting from <SMILES>N#Cc1ccc2c3c1O[C@H]1C4(CC[C@H]5[C@@H](C2)N(CC2CCC2)CC[C@@]351)OCCO4</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>N#Cc1ccc2c3c1O[C@H]1C4(CC[C@H]5[C@@H](C2)N(CC2CCC2)CC[C@@]351)OCCO4</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>NC(=O)c1ccc2c3c1O[C@H]1C(=O)CC[C@H]4[C@@H](C2)N(CC2CCC2)CC[C@]314</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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35, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>COCCOc1ccc(Nc2nc(Nc3cnn(C4CCN(C)CC4)c3)ncc2[N+](=O)[O-])cc1</SMILES> starting from <SMILES>CC(C)(C)OC(=O)N1CCC(n2cc([N+](=O)[O-])cn2)CC1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)(C)OC(=O)N1CCC(n2cc([N+](=O)[O-])cn2)CC1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COCCOc1ccc(Nc2nc(Nc3cnn(C4CCN(C)CC4)c3)ncc2[N+](=O)[O-])cc1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>COCCOc1ccc(Nc2nc(Nc3cnn(C4CCN(C)CC4)c3)ncc2[N+](=O)[O-])cc1</SMILES> starting from <SMILES>CC(C)(C)OC(=O)N1CCC(n2cc([N+](=O)[O-])cn2)CC1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)(C)OC(=O)N1CCC(n2cc([N+](=O)[O-])cn2)CC1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COCCOc1ccc(Nc2nc(Nc3cnn(C4CCN(C)CC4)c3)ncc2[N+](=O)[O-])cc1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>COCCOc1ccc(Nc2nc(Nc3cnn(C4CCN(C)CC4)c3)ncc2[N+](=O)[O-])cc1</SMILES> starting from <SMILES>CC(C)(C)OC(=O)N1CCC(n2cc([N+](=O)[O-])cn2)CC1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)(C)OC(=O)N1CCC(n2cc([N+](=O)[O-])cn2)CC1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COCCOc1ccc(Nc2nc(Nc3cnn(C4CCN(C)CC4)c3)ncc2[N+](=O)[O-])cc1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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36, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>COC(=O)c1ccc2nc(-c3ccc4[nH]ccc4c3)c(N3CCCCC3)nc2c1</SMILES> starting from <SMILES>COC(=O)c1ccc2[nH]c(=O)c(N3CCCCC3)nc2c1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>COC(=O)c1ccc2[nH]c(=O)c(N3CCCCC3)nc2c1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COC(=O)c1ccc2nc(-c3ccc4[nH]ccc4c3)c(N3CCCCC3)nc2c1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>COC(=O)c1ccc2nc(-c3ccc4[nH]ccc4c3)c(N3CCCCC3)nc2c1</SMILES> starting from <SMILES>COC(=O)c1ccc2[nH]c(=O)c(N3CCCCC3)nc2c1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>COC(=O)c1ccc2[nH]c(=O)c(N3CCCCC3)nc2c1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COC(=O)c1ccc2nc(-c3ccc4[nH]ccc4c3)c(N3CCCCC3)nc2c1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>COC(=O)c1ccc2nc(-c3ccc4[nH]ccc4c3)c(N3CCCCC3)nc2c1</SMILES> starting from <SMILES>COC(=O)c1ccc2[nH]c(=O)c(N3CCCCC3)nc2c1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>COC(=O)c1ccc2[nH]c(=O)c(N3CCCCC3)nc2c1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COC(=O)c1ccc2nc(-c3ccc4[nH]ccc4c3)c(N3CCCCC3)nc2c1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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37, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC1NCCc2c(Cl)cccc21</SMILES> starting from <SMILES>CC(=O)NCCc1ccccc1Cl</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CC(=O)NCCc1ccccc1Cl</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC1NCCc2c(Cl)cccc21</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC1NCCc2c(Cl)cccc21</SMILES> starting from <SMILES>CC(=O)NCCc1ccccc1Cl</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CC(=O)NCCc1ccccc1Cl</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC1NCCc2c(Cl)cccc21</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC1NCCc2c(Cl)cccc21</SMILES> starting from <SMILES>CC(=O)NCCc1ccccc1Cl</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CC(=O)NCCc1ccccc1Cl</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC1NCCc2c(Cl)cccc21</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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38, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>N#Cc1cc[nH]c1-c1cc(C(F)(F)F)ccc1Cl</SMILES> starting from <SMILES>CCOC(CN)OCC</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CCOC(CN)OCC</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>N#Cc1cc[nH]c1-c1cc(C(F)(F)F)ccc1Cl</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>N#Cc1cc[nH]c1-c1cc(C(F)(F)F)ccc1Cl</SMILES> starting from <SMILES>CCOC(CN)OCC</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CCOC(CN)OCC</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>N#Cc1cc[nH]c1-c1cc(C(F)(F)F)ccc1Cl</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>N#Cc1cc[nH]c1-c1cc(C(F)(F)F)ccc1Cl</SMILES> starting from <SMILES>CCOC(CN)OCC</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CCOC(CN)OCC</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>N#Cc1cc[nH]c1-c1cc(C(F)(F)F)ccc1Cl</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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39, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>Cc1ccccc1NC1=NC(=O)C2(CCC2)S1</SMILES> starting from <SMILES>N#C[S-].[NH4+]</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>N#C[S-].[NH4+]</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Cc1ccccc1NC1=NC(=O)C2(CCC2)S1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>Cc1ccccc1NC1=NC(=O)C2(CCC2)S1</SMILES> starting from <SMILES>N#C[S-].[NH4+]</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>N#C[S-].[NH4+]</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Cc1ccccc1NC1=NC(=O)C2(CCC2)S1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>Cc1ccccc1NC1=NC(=O)C2(CCC2)S1</SMILES> starting from <SMILES>N#C[S-].[NH4+]</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>N#C[S-].[NH4+]</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Cc1ccccc1NC1=NC(=O)C2(CCC2)S1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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40, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>O=C(O)C(S)c1ccccc1</SMILES> starting from <SMILES>O=C(O)C(Br)c1ccccc1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>O=C(O)C(Br)c1ccccc1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>O=C(O)C(S)c1ccccc1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>O=C(O)C(S)c1ccccc1</SMILES> starting from <SMILES>O=C(O)C(Br)c1ccccc1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>O=C(O)C(Br)c1ccccc1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>O=C(O)C(S)c1ccccc1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>O=C(O)C(S)c1ccccc1</SMILES> starting from <SMILES>O=C(O)C(Br)c1ccccc1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>O=C(O)C(Br)c1ccccc1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>O=C(O)C(S)c1ccccc1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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41, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CCCc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1</SMILES> starting from <SMILES>CCCc1ccc(N)cc1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CCCc1ccc(N)cc1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CCCc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CCCc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1</SMILES> starting from <SMILES>CCCc1ccc(N)cc1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CCCc1ccc(N)cc1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CCCc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CCCc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1</SMILES> starting from <SMILES>CCCc1ccc(N)cc1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CCCc1ccc(N)cc1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CCCc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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42, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(=O)Nc1cccc2c1CN(c1ccc3c(ccn3C)c1)C2=O</SMILES> starting from <SMILES>Cn1ccc2cc(N3Cc4c(cccc4[N+](=O)[O-])C3=O)ccc21</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>Cn1ccc2cc(N3Cc4c(cccc4[N+](=O)[O-])C3=O)ccc21</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(=O)Nc1cccc2c1CN(c1ccc3c(ccn3C)c1)C2=O</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(=O)Nc1cccc2c1CN(c1ccc3c(ccn3C)c1)C2=O</SMILES> starting from <SMILES>Cn1ccc2cc(N3Cc4c(cccc4[N+](=O)[O-])C3=O)ccc21</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>Cn1ccc2cc(N3Cc4c(cccc4[N+](=O)[O-])C3=O)ccc21</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(=O)Nc1cccc2c1CN(c1ccc3c(ccn3C)c1)C2=O</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(=O)Nc1cccc2c1CN(c1ccc3c(ccn3C)c1)C2=O</SMILES> starting from <SMILES>Cn1ccc2cc(N3Cc4c(cccc4[N+](=O)[O-])C3=O)ccc21</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>Cn1ccc2cc(N3Cc4c(cccc4[N+](=O)[O-])C3=O)ccc21</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(=O)Nc1cccc2c1CN(c1ccc3c(ccn3C)c1)C2=O</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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43, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC1(C)OCC(=S)N[C@](C)(c2cc(NC3CCCc4cc(C#N)cnc43)ccc2F)C1(F)F</SMILES> starting from <SMILES>N#Cc1cnc2c(c1)CCCC2O</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>N#Cc1cnc2c(c1)CCCC2O</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC1(C)OCC(=S)N[C@](C)(c2cc(NC3CCCc4cc(C#N)cnc43)ccc2F)C1(F)F</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC1(C)OCC(=S)N[C@](C)(c2cc(NC3CCCc4cc(C#N)cnc43)ccc2F)C1(F)F</SMILES> starting from <SMILES>N#Cc1cnc2c(c1)CCCC2O</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>N#Cc1cnc2c(c1)CCCC2O</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC1(C)OCC(=S)N[C@](C)(c2cc(NC3CCCc4cc(C#N)cnc43)ccc2F)C1(F)F</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC1(C)OCC(=S)N[C@](C)(c2cc(NC3CCCc4cc(C#N)cnc43)ccc2F)C1(F)F</SMILES> starting from <SMILES>N#Cc1cnc2c(c1)CCCC2O</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>N#Cc1cnc2c(c1)CCCC2O</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC1(C)OCC(=S)N[C@](C)(c2cc(NC3CCCc4cc(C#N)cnc43)ccc2F)C1(F)F</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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44, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)(C)OC(=O)Nc1cc(CCN2C(=O)c3ccccc3C2=O)cc(C(F)(F)F)c1</SMILES> starting from <SMILES>Nc1cc(/C=C/N2C(=O)c3ccccc3C2=O)cc(C(F)(F)F)c1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>Nc1cc(/C=C/N2C(=O)c3ccccc3C2=O)cc(C(F)(F)F)c1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)(C)OC(=O)Nc1cc(CCN2C(=O)c3ccccc3C2=O)cc(C(F)(F)F)c1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)(C)OC(=O)Nc1cc(CCN2C(=O)c3ccccc3C2=O)cc(C(F)(F)F)c1</SMILES> starting from <SMILES>Nc1cc(/C=C/N2C(=O)c3ccccc3C2=O)cc(C(F)(F)F)c1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>Nc1cc(/C=C/N2C(=O)c3ccccc3C2=O)cc(C(F)(F)F)c1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)(C)OC(=O)Nc1cc(CCN2C(=O)c3ccccc3C2=O)cc(C(F)(F)F)c1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)(C)OC(=O)Nc1cc(CCN2C(=O)c3ccccc3C2=O)cc(C(F)(F)F)c1</SMILES> starting from <SMILES>Nc1cc(/C=C/N2C(=O)c3ccccc3C2=O)cc(C(F)(F)F)c1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>Nc1cc(/C=C/N2C(=O)c3ccccc3C2=O)cc(C(F)(F)F)c1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)(C)OC(=O)Nc1cc(CCN2C(=O)c3ccccc3C2=O)cc(C(F)(F)F)c1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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45, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(NC(=O)OC(C)(C)C)c1ncc(C(=O)O)s1</SMILES> starting from <SMILES>C[C@H](NC(=O)OC(C)(C)C)C(N)=S</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>C[C@H](NC(=O)OC(C)(C)C)C(N)=S</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(NC(=O)OC(C)(C)C)c1ncc(C(=O)O)s1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(NC(=O)OC(C)(C)C)c1ncc(C(=O)O)s1</SMILES> starting from <SMILES>C[C@H](NC(=O)OC(C)(C)C)C(N)=S</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>C[C@H](NC(=O)OC(C)(C)C)C(N)=S</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(NC(=O)OC(C)(C)C)c1ncc(C(=O)O)s1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(NC(=O)OC(C)(C)C)c1ncc(C(=O)O)s1</SMILES> starting from <SMILES>C[C@H](NC(=O)OC(C)(C)C)C(N)=S</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>C[C@H](NC(=O)OC(C)(C)C)C(N)=S</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(NC(=O)OC(C)(C)C)c1ncc(C(=O)O)s1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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46, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>COc1cc(B(O)O)c(OC)cc1OCc1ccccc1</SMILES> starting from <SMILES>COc1cc(Br)c(O)cc1OCc1ccccc1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>COc1cc(Br)c(O)cc1OCc1ccccc1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COc1cc(B(O)O)c(OC)cc1OCc1ccccc1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>COc1cc(B(O)O)c(OC)cc1OCc1ccccc1</SMILES> starting from <SMILES>COc1cc(Br)c(O)cc1OCc1ccccc1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>COc1cc(Br)c(O)cc1OCc1ccccc1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COc1cc(B(O)O)c(OC)cc1OCc1ccccc1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>COc1cc(B(O)O)c(OC)cc1OCc1ccccc1</SMILES> starting from <SMILES>COc1cc(Br)c(O)cc1OCc1ccccc1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>COc1cc(Br)c(O)cc1OCc1ccccc1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COc1cc(B(O)O)c(OC)cc1OCc1ccccc1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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47, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>Nc1ccccc1S(=O)(=O)Nc1cc(F)cc2cccnc12</SMILES> starting from <SMILES>O=[N+]([O-])c1ccccc1S(=O)(=O)Cl</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>O=[N+]([O-])c1ccccc1S(=O)(=O)Cl</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Nc1ccccc1S(=O)(=O)Nc1cc(F)cc2cccnc12</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>Nc1ccccc1S(=O)(=O)Nc1cc(F)cc2cccnc12</SMILES> starting from <SMILES>O=[N+]([O-])c1ccccc1S(=O)(=O)Cl</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>O=[N+]([O-])c1ccccc1S(=O)(=O)Cl</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Nc1ccccc1S(=O)(=O)Nc1cc(F)cc2cccnc12</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>Nc1ccccc1S(=O)(=O)Nc1cc(F)cc2cccnc12</SMILES> starting from <SMILES>O=[N+]([O-])c1ccccc1S(=O)(=O)Cl</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>O=[N+]([O-])c1ccccc1S(=O)(=O)Cl</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Nc1ccccc1S(=O)(=O)Nc1cc(F)cc2cccnc12</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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48, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CCOC(=O)/C=C(\CBr)Oc1ccccc1OCc1ccccc1</SMILES> starting from <SMILES>CCOC(=O)C=C(C)Cl</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CCOC(=O)C=C(C)Cl</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CCOC(=O)/C=C(\CBr)Oc1ccccc1OCc1ccccc1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CCOC(=O)/C=C(\CBr)Oc1ccccc1OCc1ccccc1</SMILES> starting from <SMILES>CCOC(=O)C=C(C)Cl</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CCOC(=O)C=C(C)Cl</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CCOC(=O)/C=C(\CBr)Oc1ccccc1OCc1ccccc1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CCOC(=O)/C=C(\CBr)Oc1ccccc1OCc1ccccc1</SMILES> starting from <SMILES>CCOC(=O)C=C(C)Cl</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CCOC(=O)C=C(C)Cl</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CCOC(=O)/C=C(\CBr)Oc1ccccc1OCc1ccccc1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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49, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>COc1cc(CNC(=O)c2cc(C3=NOC(c4ccccc4)C3)c(=O)n(C)n2)ccc1F</SMILES> starting from <SMILES>COc1cc(C#N)ccc1F</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>COc1cc(C#N)ccc1F</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COc1cc(CNC(=O)c2cc(C3=NOC(c4ccccc4)C3)c(=O)n(C)n2)ccc1F</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>COc1cc(CNC(=O)c2cc(C3=NOC(c4ccccc4)C3)c(=O)n(C)n2)ccc1F</SMILES> starting from <SMILES>COc1cc(C#N)ccc1F</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>COc1cc(C#N)ccc1F</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COc1cc(CNC(=O)c2cc(C3=NOC(c4ccccc4)C3)c(=O)n(C)n2)ccc1F</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>COc1cc(CNC(=O)c2cc(C3=NOC(c4ccccc4)C3)c(=O)n(C)n2)ccc1F</SMILES> starting from <SMILES>COc1cc(C#N)ccc1F</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>COc1cc(C#N)ccc1F</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COc1cc(CNC(=O)c2cc(C3=NOC(c4ccccc4)C3)c(=O)n(C)n2)ccc1F</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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50, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>N#Cc1cc(CN2C(=O)C(F)(F)c3c(Br)ccc(F)c32)ccn1</SMILES> starting from <SMILES>N#Cc1cc(CO)ccn1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>N#Cc1cc(CO)ccn1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>N#Cc1cc(CN2C(=O)C(F)(F)c3c(Br)ccc(F)c32)ccn1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>N#Cc1cc(CN2C(=O)C(F)(F)c3c(Br)ccc(F)c32)ccn1</SMILES> starting from <SMILES>N#Cc1cc(CO)ccn1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>N#Cc1cc(CO)ccn1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>N#Cc1cc(CN2C(=O)C(F)(F)c3c(Br)ccc(F)c32)ccn1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>N#Cc1cc(CN2C(=O)C(F)(F)c3c(Br)ccc(F)c32)ccn1</SMILES> starting from <SMILES>N#Cc1cc(CO)ccn1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>N#Cc1cc(CO)ccn1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>N#Cc1cc(CN2C(=O)C(F)(F)c3c(Br)ccc(F)c32)ccn1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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51, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>O=CN1CC=C(c2ccc(N3C[C@H](CNc4ccon4)OC3=O)cc2F)CC1</SMILES> starting from <SMILES>O=C1O[C@@H](CN(C(=O)OCC(Cl)(Cl)Cl)c2ccon2)CN1c1ccc(C2=CCNCC2)c(F)c1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>O=C1O[C@@H](CN(C(=O)OCC(Cl)(Cl)Cl)c2ccon2)CN1c1ccc(C2=CCNCC2)c(F)c1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>O=CN1CC=C(c2ccc(N3C[C@H](CNc4ccon4)OC3=O)cc2F)CC1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>O=CN1CC=C(c2ccc(N3C[C@H](CNc4ccon4)OC3=O)cc2F)CC1</SMILES> starting from <SMILES>O=C1O[C@@H](CN(C(=O)OCC(Cl)(Cl)Cl)c2ccon2)CN1c1ccc(C2=CCNCC2)c(F)c1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>O=C1O[C@@H](CN(C(=O)OCC(Cl)(Cl)Cl)c2ccon2)CN1c1ccc(C2=CCNCC2)c(F)c1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>O=CN1CC=C(c2ccc(N3C[C@H](CNc4ccon4)OC3=O)cc2F)CC1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>O=CN1CC=C(c2ccc(N3C[C@H](CNc4ccon4)OC3=O)cc2F)CC1</SMILES> starting from <SMILES>O=C1O[C@@H](CN(C(=O)OCC(Cl)(Cl)Cl)c2ccon2)CN1c1ccc(C2=CCNCC2)c(F)c1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>O=C1O[C@@H](CN(C(=O)OCC(Cl)(Cl)Cl)c2ccon2)CN1c1ccc(C2=CCNCC2)c(F)c1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>O=CN1CC=C(c2ccc(N3C[C@H](CNc4ccon4)OC3=O)cc2F)CC1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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52, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CNC(=O)Cn1nc(-c2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)c2cc(OC(F)F)ccc21</SMILES> starting from <SMILES>CNC(=O)CCl</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CNC(=O)CCl</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CNC(=O)Cn1nc(-c2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)c2cc(OC(F)F)ccc21</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CNC(=O)Cn1nc(-c2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)c2cc(OC(F)F)ccc21</SMILES> starting from <SMILES>CNC(=O)CCl</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CNC(=O)CCl</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CNC(=O)Cn1nc(-c2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)c2cc(OC(F)F)ccc21</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CNC(=O)Cn1nc(-c2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)c2cc(OC(F)F)ccc21</SMILES> starting from <SMILES>CNC(=O)CCl</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CNC(=O)CCl</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CNC(=O)Cn1nc(-c2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)c2cc(OC(F)F)ccc21</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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53, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>Nc1ccc(F)cc1Nc1cccnc1</SMILES> starting from <SMILES>O=[N+]([O-])c1ccc(F)cc1F</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>O=[N+]([O-])c1ccc(F)cc1F</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Nc1ccc(F)cc1Nc1cccnc1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>Nc1ccc(F)cc1Nc1cccnc1</SMILES> starting from <SMILES>O=[N+]([O-])c1ccc(F)cc1F</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>O=[N+]([O-])c1ccc(F)cc1F</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Nc1ccc(F)cc1Nc1cccnc1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>Nc1ccc(F)cc1Nc1cccnc1</SMILES> starting from <SMILES>O=[N+]([O-])c1ccc(F)cc1F</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>O=[N+]([O-])c1ccc(F)cc1F</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Nc1ccc(F)cc1Nc1cccnc1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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54, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>O=C(NCC12CC3CC(CC(C3)C1)C2)c1cccc(O)c1Cl</SMILES> starting from <SMILES>COc1cccc(C(=O)O)c1Cl</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>COc1cccc(C(=O)O)c1Cl</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>O=C(NCC12CC3CC(CC(C3)C1)C2)c1cccc(O)c1Cl</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>O=C(NCC12CC3CC(CC(C3)C1)C2)c1cccc(O)c1Cl</SMILES> starting from <SMILES>COc1cccc(C(=O)O)c1Cl</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>COc1cccc(C(=O)O)c1Cl</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>O=C(NCC12CC3CC(CC(C3)C1)C2)c1cccc(O)c1Cl</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>O=C(NCC12CC3CC(CC(C3)C1)C2)c1cccc(O)c1Cl</SMILES> starting from <SMILES>COc1cccc(C(=O)O)c1Cl</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>COc1cccc(C(=O)O)c1Cl</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>O=C(NCC12CC3CC(CC(C3)C1)C2)c1cccc(O)c1Cl</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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55, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>Cc1c[nH]c2ncc(B3OC(C)(C)C(C)(C)O3)cc12</SMILES> starting from <SMILES>Cc1ccc(S(=O)(=O)n2cc(C)c3cc(Br)cnc32)cc1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>Cc1ccc(S(=O)(=O)n2cc(C)c3cc(Br)cnc32)cc1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Cc1c[nH]c2ncc(B3OC(C)(C)C(C)(C)O3)cc12</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>Cc1c[nH]c2ncc(B3OC(C)(C)C(C)(C)O3)cc12</SMILES> starting from <SMILES>Cc1ccc(S(=O)(=O)n2cc(C)c3cc(Br)cnc32)cc1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>Cc1ccc(S(=O)(=O)n2cc(C)c3cc(Br)cnc32)cc1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Cc1c[nH]c2ncc(B3OC(C)(C)C(C)(C)O3)cc12</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>Cc1c[nH]c2ncc(B3OC(C)(C)C(C)(C)O3)cc12</SMILES> starting from <SMILES>Cc1ccc(S(=O)(=O)n2cc(C)c3cc(Br)cnc32)cc1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>Cc1ccc(S(=O)(=O)n2cc(C)c3cc(Br)cnc32)cc1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Cc1c[nH]c2ncc(B3OC(C)(C)C(C)(C)O3)cc12</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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56, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>Cn1cc2c(n1)CCCN2c1cnc2c(n1)c(C(=O)NC(C)(C)C)cn2COCC[Si](C)(C)C</SMILES> starting from <SMILES>Cn1cc2c(n1)CCCN2C(=O)OC(C)(C)C</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>Cn1cc2c(n1)CCCN2C(=O)OC(C)(C)C</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Cn1cc2c(n1)CCCN2c1cnc2c(n1)c(C(=O)NC(C)(C)C)cn2COCC[Si](C)(C)C</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>Cn1cc2c(n1)CCCN2c1cnc2c(n1)c(C(=O)NC(C)(C)C)cn2COCC[Si](C)(C)C</SMILES> starting from <SMILES>Cn1cc2c(n1)CCCN2C(=O)OC(C)(C)C</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>Cn1cc2c(n1)CCCN2C(=O)OC(C)(C)C</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Cn1cc2c(n1)CCCN2c1cnc2c(n1)c(C(=O)NC(C)(C)C)cn2COCC[Si](C)(C)C</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>Cn1cc2c(n1)CCCN2c1cnc2c(n1)c(C(=O)NC(C)(C)C)cn2COCC[Si](C)(C)C</SMILES> starting from <SMILES>Cn1cc2c(n1)CCCN2C(=O)OC(C)(C)C</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>Cn1cc2c(n1)CCCN2C(=O)OC(C)(C)C</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Cn1cc2c(n1)CCCN2c1cnc2c(n1)c(C(=O)NC(C)(C)C)cn2COCC[Si](C)(C)C</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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57, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CN(C)c1ccnc2nn3c(C4CCNCC4)cc(=O)[nH]c3c12.Cl</SMILES> starting from <SMILES>CN(C)c1ccnc2[nH]nc(N)c12</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CN(C)c1ccnc2[nH]nc(N)c12</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CN(C)c1ccnc2nn3c(C4CCNCC4)cc(=O)[nH]c3c12.Cl</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CN(C)c1ccnc2nn3c(C4CCNCC4)cc(=O)[nH]c3c12.Cl</SMILES> starting from <SMILES>CN(C)c1ccnc2[nH]nc(N)c12</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CN(C)c1ccnc2[nH]nc(N)c12</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CN(C)c1ccnc2nn3c(C4CCNCC4)cc(=O)[nH]c3c12.Cl</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CN(C)c1ccnc2nn3c(C4CCNCC4)cc(=O)[nH]c3c12.Cl</SMILES> starting from <SMILES>CN(C)c1ccnc2[nH]nc(N)c12</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CN(C)c1ccnc2[nH]nc(N)c12</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CN(C)c1ccnc2nn3c(C4CCNCC4)cc(=O)[nH]c3c12.Cl</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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58, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CN(C)CCN(CCN1C(=O)CCC1=O)S(=O)(=O)c1cc(C#N)ccc1Oc1cc(Cl)cc(Cl)c1</SMILES> starting from <SMILES>CC(Br)Br</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CC(Br)Br</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CN(C)CCN(CCN1C(=O)CCC1=O)S(=O)(=O)c1cc(C#N)ccc1Oc1cc(Cl)cc(Cl)c1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CN(C)CCN(CCN1C(=O)CCC1=O)S(=O)(=O)c1cc(C#N)ccc1Oc1cc(Cl)cc(Cl)c1</SMILES> starting from <SMILES>CC(Br)Br</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CC(Br)Br</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CN(C)CCN(CCN1C(=O)CCC1=O)S(=O)(=O)c1cc(C#N)ccc1Oc1cc(Cl)cc(Cl)c1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CN(C)CCN(CCN1C(=O)CCC1=O)S(=O)(=O)c1cc(C#N)ccc1Oc1cc(Cl)cc(Cl)c1</SMILES> starting from <SMILES>CC(Br)Br</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CC(Br)Br</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CN(C)CCN(CCN1C(=O)CCC1=O)S(=O)(=O)c1cc(C#N)ccc1Oc1cc(Cl)cc(Cl)c1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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59, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>O=C(CCN1C[C@@H](O)[C@H](Oc2ccccc2)C1)c1ccc(F)cc1</SMILES> starting from <SMILES>CC(=O)c1ccc(F)cc1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CC(=O)c1ccc(F)cc1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>O=C(CCN1C[C@@H](O)[C@H](Oc2ccccc2)C1)c1ccc(F)cc1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>O=C(CCN1C[C@@H](O)[C@H](Oc2ccccc2)C1)c1ccc(F)cc1</SMILES> starting from <SMILES>CC(=O)c1ccc(F)cc1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CC(=O)c1ccc(F)cc1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>O=C(CCN1C[C@@H](O)[C@H](Oc2ccccc2)C1)c1ccc(F)cc1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>O=C(CCN1C[C@@H](O)[C@H](Oc2ccccc2)C1)c1ccc(F)cc1</SMILES> starting from <SMILES>CC(=O)c1ccc(F)cc1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CC(=O)c1ccc(F)cc1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>O=C(CCN1C[C@@H](O)[C@H](Oc2ccccc2)C1)c1ccc(F)cc1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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60, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)(C)OC(=O)N1CC(CC#N)(n2cc(-c3ccnc4[nH]ccc34)cn2)C1</SMILES> starting from <SMILES>CC(C)(C)OC(=O)N1CC(=CC#N)C1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)(C)OC(=O)N1CC(=CC#N)C1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)(C)OC(=O)N1CC(CC#N)(n2cc(-c3ccnc4[nH]ccc34)cn2)C1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)(C)OC(=O)N1CC(CC#N)(n2cc(-c3ccnc4[nH]ccc34)cn2)C1</SMILES> starting from <SMILES>CC(C)(C)OC(=O)N1CC(=CC#N)C1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)(C)OC(=O)N1CC(=CC#N)C1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)(C)OC(=O)N1CC(CC#N)(n2cc(-c3ccnc4[nH]ccc34)cn2)C1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)(C)OC(=O)N1CC(CC#N)(n2cc(-c3ccnc4[nH]ccc34)cn2)C1</SMILES> starting from <SMILES>CC(C)(C)OC(=O)N1CC(=CC#N)C1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)(C)OC(=O)N1CC(=CC#N)C1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)(C)OC(=O)N1CC(CC#N)(n2cc(-c3ccnc4[nH]ccc34)cn2)C1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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61, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>C=CCC(OCC(=C)C(=O)OCC)C(F)(F)F</SMILES> starting from <SMILES>CCOC(O)C(F)(F)F</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CCOC(O)C(F)(F)F</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>C=CCC(OCC(=C)C(=O)OCC)C(F)(F)F</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>C=CCC(OCC(=C)C(=O)OCC)C(F)(F)F</SMILES> starting from <SMILES>CCOC(O)C(F)(F)F</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CCOC(O)C(F)(F)F</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>C=CCC(OCC(=C)C(=O)OCC)C(F)(F)F</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>C=CCC(OCC(=C)C(=O)OCC)C(F)(F)F</SMILES> starting from <SMILES>CCOC(O)C(F)(F)F</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CCOC(O)C(F)(F)F</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>C=CCC(OCC(=C)C(=O)OCC)C(F)(F)F</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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62, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC1(C)Cc2cc(C3=CCC(=O)CC3)ccc2O1</SMILES> starting from <SMILES>CC1(C)Cc2ccccc2O1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CC1(C)Cc2ccccc2O1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC1(C)Cc2cc(C3=CCC(=O)CC3)ccc2O1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC1(C)Cc2cc(C3=CCC(=O)CC3)ccc2O1</SMILES> starting from <SMILES>CC1(C)Cc2ccccc2O1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CC1(C)Cc2ccccc2O1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC1(C)Cc2cc(C3=CCC(=O)CC3)ccc2O1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC1(C)Cc2cc(C3=CCC(=O)CC3)ccc2O1</SMILES> starting from <SMILES>CC1(C)Cc2ccccc2O1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CC1(C)Cc2ccccc2O1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC1(C)Cc2cc(C3=CCC(=O)CC3)ccc2O1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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63, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)(C)OC(=O)C1CCCC(C(=O)O)C1</SMILES> starting from <SMILES>Nc1cccc(C(=O)O)c1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>Nc1cccc(C(=O)O)c1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)(C)OC(=O)C1CCCC(C(=O)O)C1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)(C)OC(=O)C1CCCC(C(=O)O)C1</SMILES> starting from <SMILES>Nc1cccc(C(=O)O)c1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>Nc1cccc(C(=O)O)c1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)(C)OC(=O)C1CCCC(C(=O)O)C1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)(C)OC(=O)C1CCCC(C(=O)O)C1</SMILES> starting from <SMILES>Nc1cccc(C(=O)O)c1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>Nc1cccc(C(=O)O)c1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)(C)OC(=O)C1CCCC(C(=O)O)C1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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64, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>Cc1nn(C2CCCCC2)c(N)c1C(N)=O</SMILES> starting from <SMILES>Cl.Cl.NNC1CCCCC1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>Cl.Cl.NNC1CCCCC1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Cc1nn(C2CCCCC2)c(N)c1C(N)=O</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>Cc1nn(C2CCCCC2)c(N)c1C(N)=O</SMILES> starting from <SMILES>Cl.Cl.NNC1CCCCC1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>Cl.Cl.NNC1CCCCC1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Cc1nn(C2CCCCC2)c(N)c1C(N)=O</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>Cc1nn(C2CCCCC2)c(N)c1C(N)=O</SMILES> starting from <SMILES>Cl.Cl.NNC1CCCCC1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>Cl.Cl.NNC1CCCCC1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Cc1nn(C2CCCCC2)c(N)c1C(N)=O</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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65, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>COc1cc2ncn(-c3nc(-c4ccccc4)c(C(=O)O)s3)c2cc1OC</SMILES> starting from <SMILES>COc1cc2nc[nH]c2cc1OC</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>COc1cc2nc[nH]c2cc1OC</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COc1cc2ncn(-c3nc(-c4ccccc4)c(C(=O)O)s3)c2cc1OC</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>COc1cc2ncn(-c3nc(-c4ccccc4)c(C(=O)O)s3)c2cc1OC</SMILES> starting from <SMILES>COc1cc2nc[nH]c2cc1OC</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>COc1cc2nc[nH]c2cc1OC</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COc1cc2ncn(-c3nc(-c4ccccc4)c(C(=O)O)s3)c2cc1OC</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>COc1cc2ncn(-c3nc(-c4ccccc4)c(C(=O)O)s3)c2cc1OC</SMILES> starting from <SMILES>COc1cc2nc[nH]c2cc1OC</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>COc1cc2nc[nH]c2cc1OC</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COc1cc2ncn(-c3nc(-c4ccccc4)c(C(=O)O)s3)c2cc1OC</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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66, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C(=O)N1c2ccccc2C(=O)Nc2cccnc21)N1CCN(C)CC1</SMILES> starting from <SMILES>O=C1Nc2cccnc2Nc2ccccc21</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>O=C1Nc2cccnc2Nc2ccccc21</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C(=O)N1c2ccccc2C(=O)Nc2cccnc21)N1CCN(C)CC1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C(=O)N1c2ccccc2C(=O)Nc2cccnc21)N1CCN(C)CC1</SMILES> starting from <SMILES>O=C1Nc2cccnc2Nc2ccccc21</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>O=C1Nc2cccnc2Nc2ccccc21</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C(=O)N1c2ccccc2C(=O)Nc2cccnc21)N1CCN(C)CC1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C(=O)N1c2ccccc2C(=O)Nc2cccnc21)N1CCN(C)CC1</SMILES> starting from <SMILES>O=C1Nc2cccnc2Nc2ccccc21</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>O=C1Nc2cccnc2Nc2ccccc21</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C(=O)N1c2ccccc2C(=O)Nc2cccnc21)N1CCN(C)CC1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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67, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>C=CC(=O)Nc1cccc(Nc2cc(Oc3ccc4c(c3)OCCO4)ncn2)n1</SMILES> starting from <SMILES>Nc1cccc(Nc2cc(Cl)ncn2)n1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>Nc1cccc(Nc2cc(Cl)ncn2)n1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>C=CC(=O)Nc1cccc(Nc2cc(Oc3ccc4c(c3)OCCO4)ncn2)n1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>C=CC(=O)Nc1cccc(Nc2cc(Oc3ccc4c(c3)OCCO4)ncn2)n1</SMILES> starting from <SMILES>Nc1cccc(Nc2cc(Cl)ncn2)n1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>Nc1cccc(Nc2cc(Cl)ncn2)n1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>C=CC(=O)Nc1cccc(Nc2cc(Oc3ccc4c(c3)OCCO4)ncn2)n1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>C=CC(=O)Nc1cccc(Nc2cc(Oc3ccc4c(c3)OCCO4)ncn2)n1</SMILES> starting from <SMILES>Nc1cccc(Nc2cc(Cl)ncn2)n1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>Nc1cccc(Nc2cc(Cl)ncn2)n1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>C=CC(=O)Nc1cccc(Nc2cc(Oc3ccc4c(c3)OCCO4)ncn2)n1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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68, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>Cc1ccc(NC(=O)OC(C)(C)C)cc1Oc1ccc2nc(N)sc2n1</SMILES> starting from <SMILES>Cc1ccc(NC(=O)OC(C)(C)C)cc1Oc1ccc([N+](=O)[O-])cn1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>Cc1ccc(NC(=O)OC(C)(C)C)cc1Oc1ccc([N+](=O)[O-])cn1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Cc1ccc(NC(=O)OC(C)(C)C)cc1Oc1ccc2nc(N)sc2n1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>Cc1ccc(NC(=O)OC(C)(C)C)cc1Oc1ccc2nc(N)sc2n1</SMILES> starting from <SMILES>Cc1ccc(NC(=O)OC(C)(C)C)cc1Oc1ccc([N+](=O)[O-])cn1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>Cc1ccc(NC(=O)OC(C)(C)C)cc1Oc1ccc([N+](=O)[O-])cn1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Cc1ccc(NC(=O)OC(C)(C)C)cc1Oc1ccc2nc(N)sc2n1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>Cc1ccc(NC(=O)OC(C)(C)C)cc1Oc1ccc2nc(N)sc2n1</SMILES> starting from <SMILES>Cc1ccc(NC(=O)OC(C)(C)C)cc1Oc1ccc([N+](=O)[O-])cn1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>Cc1ccc(NC(=O)OC(C)(C)C)cc1Oc1ccc([N+](=O)[O-])cn1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Cc1ccc(NC(=O)OC(C)(C)C)cc1Oc1ccc2nc(N)sc2n1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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69, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>COc1cnccc1-c1nc2cc(C(F)(F)F)ccc2n1C</SMILES> starting from <SMILES>O=Cc1ccncc1F</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>O=Cc1ccncc1F</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COc1cnccc1-c1nc2cc(C(F)(F)F)ccc2n1C</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>COc1cnccc1-c1nc2cc(C(F)(F)F)ccc2n1C</SMILES> starting from <SMILES>O=Cc1ccncc1F</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>O=Cc1ccncc1F</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COc1cnccc1-c1nc2cc(C(F)(F)F)ccc2n1C</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>COc1cnccc1-c1nc2cc(C(F)(F)F)ccc2n1C</SMILES> starting from <SMILES>O=Cc1ccncc1F</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>O=Cc1ccncc1F</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COc1cnccc1-c1nc2cc(C(F)(F)F)ccc2n1C</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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70, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>COCCCCC(=O)O</SMILES> starting from <SMILES>COC(=O)CCCCBr</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>COC(=O)CCCCBr</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COCCCCC(=O)O</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>COCCCCC(=O)O</SMILES> starting from <SMILES>COC(=O)CCCCBr</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>COC(=O)CCCCBr</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COCCCCC(=O)O</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>COCCCCC(=O)O</SMILES> starting from <SMILES>COC(=O)CCCCBr</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>COC(=O)CCCCBr</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COCCCCC(=O)O</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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71, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CSc1nccc(-n2c(-c3ccc(F)cc3)nc3nc(Cl)ccc32)n1</SMILES> starting from <SMILES>CS(=O)c1nccc(-n2c(-c3ccc(F)cc3)nc3nc(Cl)ccc32)n1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CS(=O)c1nccc(-n2c(-c3ccc(F)cc3)nc3nc(Cl)ccc32)n1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CSc1nccc(-n2c(-c3ccc(F)cc3)nc3nc(Cl)ccc32)n1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CSc1nccc(-n2c(-c3ccc(F)cc3)nc3nc(Cl)ccc32)n1</SMILES> starting from <SMILES>CS(=O)c1nccc(-n2c(-c3ccc(F)cc3)nc3nc(Cl)ccc32)n1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CS(=O)c1nccc(-n2c(-c3ccc(F)cc3)nc3nc(Cl)ccc32)n1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CSc1nccc(-n2c(-c3ccc(F)cc3)nc3nc(Cl)ccc32)n1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CSc1nccc(-n2c(-c3ccc(F)cc3)nc3nc(Cl)ccc32)n1</SMILES> starting from <SMILES>CS(=O)c1nccc(-n2c(-c3ccc(F)cc3)nc3nc(Cl)ccc32)n1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CS(=O)c1nccc(-n2c(-c3ccc(F)cc3)nc3nc(Cl)ccc32)n1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CSc1nccc(-n2c(-c3ccc(F)cc3)nc3nc(Cl)ccc32)n1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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72, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>Cc1cnccc1C(=N)NO</SMILES> starting from <SMILES>Cc1ccc[n+]([O-])c1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>Cc1ccc[n+]([O-])c1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Cc1cnccc1C(=N)NO</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>Cc1cnccc1C(=N)NO</SMILES> starting from <SMILES>Cc1ccc[n+]([O-])c1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>Cc1ccc[n+]([O-])c1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Cc1cnccc1C(=N)NO</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>Cc1cnccc1C(=N)NO</SMILES> starting from <SMILES>Cc1ccc[n+]([O-])c1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>Cc1ccc[n+]([O-])c1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Cc1cnccc1C(=N)NO</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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73, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CCOC(=O)c1ccc(CN(CC)Cc2cc(Br)ccc2OCc2ccccc2)cc1</SMILES> starting from <SMILES>CCOC(=O)c1ccc(CN)cc1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CCOC(=O)c1ccc(CN)cc1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CCOC(=O)c1ccc(CN(CC)Cc2cc(Br)ccc2OCc2ccccc2)cc1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CCOC(=O)c1ccc(CN(CC)Cc2cc(Br)ccc2OCc2ccccc2)cc1</SMILES> starting from <SMILES>CCOC(=O)c1ccc(CN)cc1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CCOC(=O)c1ccc(CN)cc1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CCOC(=O)c1ccc(CN(CC)Cc2cc(Br)ccc2OCc2ccccc2)cc1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CCOC(=O)c1ccc(CN(CC)Cc2cc(Br)ccc2OCc2ccccc2)cc1</SMILES> starting from <SMILES>CCOC(=O)c1ccc(CN)cc1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CCOC(=O)c1ccc(CN)cc1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CCOC(=O)c1ccc(CN(CC)Cc2cc(Br)ccc2OCc2ccccc2)cc1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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74, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CNCC(=O)Nc1c(C)cccc1C</SMILES> starting from <SMILES>Cc1cccc(C)c1N</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>Cc1cccc(C)c1N</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CNCC(=O)Nc1c(C)cccc1C</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CNCC(=O)Nc1c(C)cccc1C</SMILES> starting from <SMILES>Cc1cccc(C)c1N</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>Cc1cccc(C)c1N</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CNCC(=O)Nc1c(C)cccc1C</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CNCC(=O)Nc1c(C)cccc1C</SMILES> starting from <SMILES>Cc1cccc(C)c1N</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>Cc1cccc(C)c1N</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CNCC(=O)Nc1c(C)cccc1C</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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75, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC1(C)CN=C2C(c3ccccc3)=[N+]([O-])c3cc(C(F)(F)F)ccc3N2C1.Cl</SMILES> starting from <SMILES>O=[N+]([O-])c1cc(C(F)(F)F)ccc1F</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>O=[N+]([O-])c1cc(C(F)(F)F)ccc1F</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC1(C)CN=C2C(c3ccccc3)=[N+]([O-])c3cc(C(F)(F)F)ccc3N2C1.Cl</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC1(C)CN=C2C(c3ccccc3)=[N+]([O-])c3cc(C(F)(F)F)ccc3N2C1.Cl</SMILES> starting from <SMILES>O=[N+]([O-])c1cc(C(F)(F)F)ccc1F</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>O=[N+]([O-])c1cc(C(F)(F)F)ccc1F</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC1(C)CN=C2C(c3ccccc3)=[N+]([O-])c3cc(C(F)(F)F)ccc3N2C1.Cl</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC1(C)CN=C2C(c3ccccc3)=[N+]([O-])c3cc(C(F)(F)F)ccc3N2C1.Cl</SMILES> starting from <SMILES>O=[N+]([O-])c1cc(C(F)(F)F)ccc1F</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>O=[N+]([O-])c1cc(C(F)(F)F)ccc1F</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC1(C)CN=C2C(c3ccccc3)=[N+]([O-])c3cc(C(F)(F)F)ccc3N2C1.Cl</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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76, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>Clc1ccc(-c2c[nH]c(C3CN(Cc4ccccc4)CCO3)n2)cc1</SMILES> starting from <SMILES>O=C(O)C1CN(Cc2ccccc2)CCO1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>O=C(O)C1CN(Cc2ccccc2)CCO1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Clc1ccc(-c2c[nH]c(C3CN(Cc4ccccc4)CCO3)n2)cc1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>Clc1ccc(-c2c[nH]c(C3CN(Cc4ccccc4)CCO3)n2)cc1</SMILES> starting from <SMILES>O=C(O)C1CN(Cc2ccccc2)CCO1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>O=C(O)C1CN(Cc2ccccc2)CCO1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Clc1ccc(-c2c[nH]c(C3CN(Cc4ccccc4)CCO3)n2)cc1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>Clc1ccc(-c2c[nH]c(C3CN(Cc4ccccc4)CCO3)n2)cc1</SMILES> starting from <SMILES>O=C(O)C1CN(Cc2ccccc2)CCO1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>O=C(O)C1CN(Cc2ccccc2)CCO1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Clc1ccc(-c2c[nH]c(C3CN(Cc4ccccc4)CCO3)n2)cc1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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77, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>COC1=CC(=O)C(CCC(C)C)(OC)c2ccccc21</SMILES> starting from <SMILES>CCOCC.FB(F)F</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CCOCC.FB(F)F</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COC1=CC(=O)C(CCC(C)C)(OC)c2ccccc21</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>COC1=CC(=O)C(CCC(C)C)(OC)c2ccccc21</SMILES> starting from <SMILES>CCOCC.FB(F)F</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CCOCC.FB(F)F</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COC1=CC(=O)C(CCC(C)C)(OC)c2ccccc21</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>COC1=CC(=O)C(CCC(C)C)(OC)c2ccccc21</SMILES> starting from <SMILES>CCOCC.FB(F)F</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CCOCC.FB(F)F</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COC1=CC(=O)C(CCC(C)C)(OC)c2ccccc21</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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78, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)(C)OC(=O)c1ccccc1-c1ccc(CBr)cc1</SMILES> starting from <SMILES>Cc1ccc(B(O)O)cc1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>Cc1ccc(B(O)O)cc1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)(C)OC(=O)c1ccccc1-c1ccc(CBr)cc1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)(C)OC(=O)c1ccccc1-c1ccc(CBr)cc1</SMILES> starting from <SMILES>Cc1ccc(B(O)O)cc1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>Cc1ccc(B(O)O)cc1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)(C)OC(=O)c1ccccc1-c1ccc(CBr)cc1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CC(C)(C)OC(=O)c1ccccc1-c1ccc(CBr)cc1</SMILES> starting from <SMILES>Cc1ccc(B(O)O)cc1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>Cc1ccc(B(O)O)cc1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CC(C)(C)OC(=O)c1ccccc1-c1ccc(CBr)cc1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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79, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CCOC(=O)N1CC2CC(C1)C(O)(c1cncc(-c3ccccc3)c1)C2</SMILES> starting from <SMILES>OB(O)c1ccccc1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>OB(O)c1ccccc1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CCOC(=O)N1CC2CC(C1)C(O)(c1cncc(-c3ccccc3)c1)C2</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CCOC(=O)N1CC2CC(C1)C(O)(c1cncc(-c3ccccc3)c1)C2</SMILES> starting from <SMILES>OB(O)c1ccccc1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>OB(O)c1ccccc1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CCOC(=O)N1CC2CC(C1)C(O)(c1cncc(-c3ccccc3)c1)C2</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CCOC(=O)N1CC2CC(C1)C(O)(c1cncc(-c3ccccc3)c1)C2</SMILES> starting from <SMILES>OB(O)c1ccccc1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>OB(O)c1ccccc1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CCOC(=O)N1CC2CC(C1)C(O)(c1cncc(-c3ccccc3)c1)C2</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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80, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>COC(=O)c1ccc(NC(=O)c2ccccc2C)nc1</SMILES> starting from <SMILES>Nc1ccc(C(=O)O)cn1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>Nc1ccc(C(=O)O)cn1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COC(=O)c1ccc(NC(=O)c2ccccc2C)nc1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>COC(=O)c1ccc(NC(=O)c2ccccc2C)nc1</SMILES> starting from <SMILES>Nc1ccc(C(=O)O)cn1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>Nc1ccc(C(=O)O)cn1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COC(=O)c1ccc(NC(=O)c2ccccc2C)nc1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>COC(=O)c1ccc(NC(=O)c2ccccc2C)nc1</SMILES> starting from <SMILES>Nc1ccc(C(=O)O)cn1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>Nc1ccc(C(=O)O)cn1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COC(=O)c1ccc(NC(=O)c2ccccc2C)nc1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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81, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>OCc1cnc(-c2c(F)cccc2F)[nH]1</SMILES> starting from <SMILES>C[Si](C)(C)N[Si](C)(C)C</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>C[Si](C)(C)N[Si](C)(C)C</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>OCc1cnc(-c2c(F)cccc2F)[nH]1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>OCc1cnc(-c2c(F)cccc2F)[nH]1</SMILES> starting from <SMILES>C[Si](C)(C)N[Si](C)(C)C</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>C[Si](C)(C)N[Si](C)(C)C</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>OCc1cnc(-c2c(F)cccc2F)[nH]1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>OCc1cnc(-c2c(F)cccc2F)[nH]1</SMILES> starting from <SMILES>C[Si](C)(C)N[Si](C)(C)C</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>C[Si](C)(C)N[Si](C)(C)C</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>OCc1cnc(-c2c(F)cccc2F)[nH]1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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82, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4nc5cc(-c6ccccc6)ccc5o4)CC3)ccc2s1</SMILES> starting from <SMILES>COC(CCl)(OC)OC</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>COC(CCl)(OC)OC</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4nc5cc(-c6ccccc6)ccc5o4)CC3)ccc2s1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4nc5cc(-c6ccccc6)ccc5o4)CC3)ccc2s1</SMILES> starting from <SMILES>COC(CCl)(OC)OC</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>COC(CCl)(OC)OC</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4nc5cc(-c6ccccc6)ccc5o4)CC3)ccc2s1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4nc5cc(-c6ccccc6)ccc5o4)CC3)ccc2s1</SMILES> starting from <SMILES>COC(CCl)(OC)OC</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>COC(CCl)(OC)OC</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4nc5cc(-c6ccccc6)ccc5o4)CC3)ccc2s1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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83, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>Cc1ncc2c(N3CCN(CCc4cccc(NS(C)(=O)=O)c4)CC3)cccc2n1</SMILES> starting from <SMILES>CS(=O)(=O)Cl</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CS(=O)(=O)Cl</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Cc1ncc2c(N3CCN(CCc4cccc(NS(C)(=O)=O)c4)CC3)cccc2n1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>Cc1ncc2c(N3CCN(CCc4cccc(NS(C)(=O)=O)c4)CC3)cccc2n1</SMILES> starting from <SMILES>CS(=O)(=O)Cl</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CS(=O)(=O)Cl</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Cc1ncc2c(N3CCN(CCc4cccc(NS(C)(=O)=O)c4)CC3)cccc2n1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>Cc1ncc2c(N3CCN(CCc4cccc(NS(C)(=O)=O)c4)CC3)cccc2n1</SMILES> starting from <SMILES>CS(=O)(=O)Cl</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CS(=O)(=O)Cl</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>Cc1ncc2c(N3CCN(CCc4cccc(NS(C)(=O)=O)c4)CC3)cccc2n1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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84, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>COc1ccc(-c2cc(=S)n(C)c(=O)n2C)cc1OC</SMILES> starting from <SMILES>COc1ccc(-c2cc(=O)[nH]c(=O)[nH]2)cc1OC</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>COc1ccc(-c2cc(=O)[nH]c(=O)[nH]2)cc1OC</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COc1ccc(-c2cc(=S)n(C)c(=O)n2C)cc1OC</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>COc1ccc(-c2cc(=S)n(C)c(=O)n2C)cc1OC</SMILES> starting from <SMILES>COc1ccc(-c2cc(=O)[nH]c(=O)[nH]2)cc1OC</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>COc1ccc(-c2cc(=O)[nH]c(=O)[nH]2)cc1OC</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COc1ccc(-c2cc(=S)n(C)c(=O)n2C)cc1OC</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>COc1ccc(-c2cc(=S)n(C)c(=O)n2C)cc1OC</SMILES> starting from <SMILES>COc1ccc(-c2cc(=O)[nH]c(=O)[nH]2)cc1OC</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>COc1ccc(-c2cc(=O)[nH]c(=O)[nH]2)cc1OC</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COc1ccc(-c2cc(=S)n(C)c(=O)n2C)cc1OC</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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85, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CCNC(=O)N1CCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2CC1</SMILES> starting from <SMILES>NS(=O)(=O)c1ccc2c(c1)CCNCC2</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>NS(=O)(=O)c1ccc2c(c1)CCNCC2</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CCNC(=O)N1CCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2CC1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CCNC(=O)N1CCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2CC1</SMILES> starting from <SMILES>NS(=O)(=O)c1ccc2c(c1)CCNCC2</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>NS(=O)(=O)c1ccc2c(c1)CCNCC2</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CCNC(=O)N1CCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2CC1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CCNC(=O)N1CCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2CC1</SMILES> starting from <SMILES>NS(=O)(=O)c1ccc2c(c1)CCNCC2</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>NS(=O)(=O)c1ccc2c(c1)CCNCC2</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CCNC(=O)N1CCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2CC1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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86, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>COCn1c2ccc(F)cc2c2c(CC#N)nn(-c3ccccc3)c(=O)c21</SMILES> starting from <SMILES>COCn1c2ccc(F)cc2c2c(CO)nn(-c3ccccc3)c(=O)c21</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>COCn1c2ccc(F)cc2c2c(CO)nn(-c3ccccc3)c(=O)c21</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COCn1c2ccc(F)cc2c2c(CC#N)nn(-c3ccccc3)c(=O)c21</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>COCn1c2ccc(F)cc2c2c(CC#N)nn(-c3ccccc3)c(=O)c21</SMILES> starting from <SMILES>COCn1c2ccc(F)cc2c2c(CO)nn(-c3ccccc3)c(=O)c21</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>COCn1c2ccc(F)cc2c2c(CO)nn(-c3ccccc3)c(=O)c21</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COCn1c2ccc(F)cc2c2c(CC#N)nn(-c3ccccc3)c(=O)c21</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>COCn1c2ccc(F)cc2c2c(CC#N)nn(-c3ccccc3)c(=O)c21</SMILES> starting from <SMILES>COCn1c2ccc(F)cc2c2c(CO)nn(-c3ccccc3)c(=O)c21</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>COCn1c2ccc(F)cc2c2c(CO)nn(-c3ccccc3)c(=O)c21</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COCn1c2ccc(F)cc2c2c(CC#N)nn(-c3ccccc3)c(=O)c21</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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87, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CCOP(=O)(Cc1cc2cc(OC)c(OC)cc2nc1C)OCC</SMILES> starting from <SMILES>COc1cc2cc(CO)c(C)nc2cc1OC</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>COc1cc2cc(CO)c(C)nc2cc1OC</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CCOP(=O)(Cc1cc2cc(OC)c(OC)cc2nc1C)OCC</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CCOP(=O)(Cc1cc2cc(OC)c(OC)cc2nc1C)OCC</SMILES> starting from <SMILES>COc1cc2cc(CO)c(C)nc2cc1OC</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>COc1cc2cc(CO)c(C)nc2cc1OC</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CCOP(=O)(Cc1cc2cc(OC)c(OC)cc2nc1C)OCC</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CCOP(=O)(Cc1cc2cc(OC)c(OC)cc2nc1C)OCC</SMILES> starting from <SMILES>COc1cc2cc(CO)c(C)nc2cc1OC</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>COc1cc2cc(CO)c(C)nc2cc1OC</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CCOP(=O)(Cc1cc2cc(OC)c(OC)cc2nc1C)OCC</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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88, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>COC(=O)c1ccc2c(c1)NC(c1cccc(N3CCOCC3)c1)CC2(C)C</SMILES> starting from <SMILES>O=Cc1cccc(Br)c1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>O=Cc1cccc(Br)c1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COC(=O)c1ccc2c(c1)NC(c1cccc(N3CCOCC3)c1)CC2(C)C</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>COC(=O)c1ccc2c(c1)NC(c1cccc(N3CCOCC3)c1)CC2(C)C</SMILES> starting from <SMILES>O=Cc1cccc(Br)c1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>O=Cc1cccc(Br)c1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COC(=O)c1ccc2c(c1)NC(c1cccc(N3CCOCC3)c1)CC2(C)C</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>COC(=O)c1ccc2c(c1)NC(c1cccc(N3CCOCC3)c1)CC2(C)C</SMILES> starting from <SMILES>O=Cc1cccc(Br)c1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>O=Cc1cccc(Br)c1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COC(=O)c1ccc2c(c1)NC(c1cccc(N3CCOCC3)c1)CC2(C)C</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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89, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>C[C@H]1CN(Cc2ccccc2)C[C@@H]1CNC1CC1</SMILES> starting from <SMILES>NC1CC1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>NC1CC1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>C[C@H]1CN(Cc2ccccc2)C[C@@H]1CNC1CC1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>C[C@H]1CN(Cc2ccccc2)C[C@@H]1CNC1CC1</SMILES> starting from <SMILES>NC1CC1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>NC1CC1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>C[C@H]1CN(Cc2ccccc2)C[C@@H]1CNC1CC1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>C[C@H]1CN(Cc2ccccc2)C[C@@H]1CNC1CC1</SMILES> starting from <SMILES>NC1CC1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>NC1CC1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>C[C@H]1CN(Cc2ccccc2)C[C@@H]1CNC1CC1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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90, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>COc1ccc(N)cc1OC1CCCC1</SMILES> starting from <SMILES>COc1ccc([N+](=O)[O-])cc1O</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>COc1ccc([N+](=O)[O-])cc1O</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COc1ccc(N)cc1OC1CCCC1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>COc1ccc(N)cc1OC1CCCC1</SMILES> starting from <SMILES>COc1ccc([N+](=O)[O-])cc1O</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>COc1ccc([N+](=O)[O-])cc1O</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COc1ccc(N)cc1OC1CCCC1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>COc1ccc(N)cc1OC1CCCC1</SMILES> starting from <SMILES>COc1ccc([N+](=O)[O-])cc1O</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>COc1ccc([N+](=O)[O-])cc1O</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COc1ccc(N)cc1OC1CCCC1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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91, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1</SMILES> starting from <SMILES>O=[N+]([O-])c1cccc(S(=O)(=O)OC[C@H]2CO2)c1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>O=[N+]([O-])c1cccc(S(=O)(=O)OC[C@H]2CO2)c1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1</SMILES> starting from <SMILES>O=[N+]([O-])c1cccc(S(=O)(=O)OC[C@H]2CO2)c1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>O=[N+]([O-])c1cccc(S(=O)(=O)OC[C@H]2CO2)c1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1</SMILES> starting from <SMILES>O=[N+]([O-])c1cccc(S(=O)(=O)OC[C@H]2CO2)c1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>O=[N+]([O-])c1cccc(S(=O)(=O)OC[C@H]2CO2)c1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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92, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>C=CC(=O)N1CC[C@H](Oc2nc(-c3n[nH]c(=O)[nH]3)cc3ccc(Cl)cc23)C1</SMILES> starting from <SMILES>CC(C)(C)OC(=O)N1CC[C@H](Oc2nc(-c3n[nH]c(=O)[nH]3)cc3ccc(Cl)cc23)C1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)(C)OC(=O)N1CC[C@H](Oc2nc(-c3n[nH]c(=O)[nH]3)cc3ccc(Cl)cc23)C1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>C=CC(=O)N1CC[C@H](Oc2nc(-c3n[nH]c(=O)[nH]3)cc3ccc(Cl)cc23)C1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>C=CC(=O)N1CC[C@H](Oc2nc(-c3n[nH]c(=O)[nH]3)cc3ccc(Cl)cc23)C1</SMILES> starting from <SMILES>CC(C)(C)OC(=O)N1CC[C@H](Oc2nc(-c3n[nH]c(=O)[nH]3)cc3ccc(Cl)cc23)C1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)(C)OC(=O)N1CC[C@H](Oc2nc(-c3n[nH]c(=O)[nH]3)cc3ccc(Cl)cc23)C1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>C=CC(=O)N1CC[C@H](Oc2nc(-c3n[nH]c(=O)[nH]3)cc3ccc(Cl)cc23)C1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>C=CC(=O)N1CC[C@H](Oc2nc(-c3n[nH]c(=O)[nH]3)cc3ccc(Cl)cc23)C1</SMILES> starting from <SMILES>CC(C)(C)OC(=O)N1CC[C@H](Oc2nc(-c3n[nH]c(=O)[nH]3)cc3ccc(Cl)cc23)C1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)(C)OC(=O)N1CC[C@H](Oc2nc(-c3n[nH]c(=O)[nH]3)cc3ccc(Cl)cc23)C1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>C=CC(=O)N1CC[C@H](Oc2nc(-c3n[nH]c(=O)[nH]3)cc3ccc(Cl)cc23)C1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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93, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>C=Cc1ccc2ccc([C@]3(OC)C[C@@H](C(=O)OC)N(C(=O)OCC[Si](C)(C)C)C3)cc2c1</SMILES> starting from <SMILES>COC(=O)[C@@H]1CC(=O)CN1C(=O)OCC[Si](C)(C)C</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>COC(=O)[C@@H]1CC(=O)CN1C(=O)OCC[Si](C)(C)C</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>C=Cc1ccc2ccc([C@]3(OC)C[C@@H](C(=O)OC)N(C(=O)OCC[Si](C)(C)C)C3)cc2c1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>C=Cc1ccc2ccc([C@]3(OC)C[C@@H](C(=O)OC)N(C(=O)OCC[Si](C)(C)C)C3)cc2c1</SMILES> starting from <SMILES>COC(=O)[C@@H]1CC(=O)CN1C(=O)OCC[Si](C)(C)C</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>COC(=O)[C@@H]1CC(=O)CN1C(=O)OCC[Si](C)(C)C</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>C=Cc1ccc2ccc([C@]3(OC)C[C@@H](C(=O)OC)N(C(=O)OCC[Si](C)(C)C)C3)cc2c1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>C=Cc1ccc2ccc([C@]3(OC)C[C@@H](C(=O)OC)N(C(=O)OCC[Si](C)(C)C)C3)cc2c1</SMILES> starting from <SMILES>COC(=O)[C@@H]1CC(=O)CN1C(=O)OCC[Si](C)(C)C</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>COC(=O)[C@@H]1CC(=O)CN1C(=O)OCC[Si](C)(C)C</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>C=Cc1ccc2ccc([C@]3(OC)C[C@@H](C(=O)OC)N(C(=O)OCC[Si](C)(C)C)C3)cc2c1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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94, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>COc1nc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3scnc3c2)ccc1N1CCN(C(=O)OC(C)(C)C)CC1</SMILES> starting from <SMILES>COc1nc(Cl)ccc1Br</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>COc1nc(Cl)ccc1Br</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COc1nc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3scnc3c2)ccc1N1CCN(C(=O)OC(C)(C)C)CC1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>COc1nc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3scnc3c2)ccc1N1CCN(C(=O)OC(C)(C)C)CC1</SMILES> starting from <SMILES>COc1nc(Cl)ccc1Br</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>COc1nc(Cl)ccc1Br</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COc1nc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3scnc3c2)ccc1N1CCN(C(=O)OC(C)(C)C)CC1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>COc1nc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3scnc3c2)ccc1N1CCN(C(=O)OC(C)(C)C)CC1</SMILES> starting from <SMILES>COc1nc(Cl)ccc1Br</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>COc1nc(Cl)ccc1Br</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COc1nc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3scnc3c2)ccc1N1CCN(C(=O)OC(C)(C)C)CC1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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95, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>C=C(C)[C@@H]1CC[C@]2(NCCN3CCC(S(C)(=O)=O)CC3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(C6=CCC(C(=O)OCC)CC6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12</SMILES> starting from <SMILES>CC(C)(C)OC(=O)N1CCC(S(C)(=O)=O)CC1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)(C)OC(=O)N1CCC(S(C)(=O)=O)CC1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>C=C(C)[C@@H]1CC[C@]2(NCCN3CCC(S(C)(=O)=O)CC3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(C6=CCC(C(=O)OCC)CC6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>C=C(C)[C@@H]1CC[C@]2(NCCN3CCC(S(C)(=O)=O)CC3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(C6=CCC(C(=O)OCC)CC6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12</SMILES> starting from <SMILES>CC(C)(C)OC(=O)N1CCC(S(C)(=O)=O)CC1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)(C)OC(=O)N1CCC(S(C)(=O)=O)CC1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>C=C(C)[C@@H]1CC[C@]2(NCCN3CCC(S(C)(=O)=O)CC3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(C6=CCC(C(=O)OCC)CC6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>C=C(C)[C@@H]1CC[C@]2(NCCN3CCC(S(C)(=O)=O)CC3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(C6=CCC(C(=O)OCC)CC6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12</SMILES> starting from <SMILES>CC(C)(C)OC(=O)N1CCC(S(C)(=O)=O)CC1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CC(C)(C)OC(=O)N1CCC(S(C)(=O)=O)CC1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>C=C(C)[C@@H]1CC[C@]2(NCCN3CCC(S(C)(=O)=O)CC3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(C6=CCC(C(=O)OCC)CC6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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96, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>C[C@]12CC[C@H]3[C@@H](CC=C4C=C(S(=O)(=O)C(F)(F)F)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)O</SMILES> starting from <SMILES>COC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>COC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>C[C@]12CC[C@H]3[C@@H](CC=C4C=C(S(=O)(=O)C(F)(F)F)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)O</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>C[C@]12CC[C@H]3[C@@H](CC=C4C=C(S(=O)(=O)C(F)(F)F)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)O</SMILES> starting from <SMILES>COC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>COC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>C[C@]12CC[C@H]3[C@@H](CC=C4C=C(S(=O)(=O)C(F)(F)F)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)O</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>C[C@]12CC[C@H]3[C@@H](CC=C4C=C(S(=O)(=O)C(F)(F)F)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)O</SMILES> starting from <SMILES>COC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>COC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>C[C@]12CC[C@H]3[C@@H](CC=C4C=C(S(=O)(=O)C(F)(F)F)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)O</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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97, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>c1ccc(-c2cnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)cc1</SMILES> starting from <SMILES>Ic1cn[nH]c1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>Ic1cn[nH]c1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>c1ccc(-c2cnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)cc1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>c1ccc(-c2cnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)cc1</SMILES> starting from <SMILES>Ic1cn[nH]c1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>Ic1cn[nH]c1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>c1ccc(-c2cnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)cc1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>c1ccc(-c2cnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)cc1</SMILES> starting from <SMILES>Ic1cn[nH]c1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>Ic1cn[nH]c1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>c1ccc(-c2cnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)cc1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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98, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>COC(=O)Cc1ccc([C@H](C)N2CC[C@](CCCOCc3ccc(OC)cc3)(c3ccccc3)OC2=O)cc1</SMILES> starting from <SMILES>COc1ccc(COCCC[C@]2(c3ccccc3)CCN([C@@H](C)c3ccc(CCO)cc3)C(=O)O2)cc1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>COc1ccc(COCCC[C@]2(c3ccccc3)CCN([C@@H](C)c3ccc(CCO)cc3)C(=O)O2)cc1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COC(=O)Cc1ccc([C@H](C)N2CC[C@](CCCOCc3ccc(OC)cc3)(c3ccccc3)OC2=O)cc1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>COC(=O)Cc1ccc([C@H](C)N2CC[C@](CCCOCc3ccc(OC)cc3)(c3ccccc3)OC2=O)cc1</SMILES> starting from <SMILES>COc1ccc(COCCC[C@]2(c3ccccc3)CCN([C@@H](C)c3ccc(CCO)cc3)C(=O)O2)cc1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>COc1ccc(COCCC[C@]2(c3ccccc3)CCN([C@@H](C)c3ccc(CCO)cc3)C(=O)O2)cc1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COC(=O)Cc1ccc([C@H](C)N2CC[C@](CCCOCc3ccc(OC)cc3)(c3ccccc3)OC2=O)cc1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>COC(=O)Cc1ccc([C@H](C)N2CC[C@](CCCOCc3ccc(OC)cc3)(c3ccccc3)OC2=O)cc1</SMILES> starting from <SMILES>COc1ccc(COCCC[C@]2(c3ccccc3)CCN([C@@H](C)c3ccc(CCO)cc3)C(=O)O2)cc1</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>COc1ccc(COCCC[C@]2(c3ccccc3)CCN([C@@H](C)c3ccc(CCO)cc3)C(=O)O2)cc1</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>COC(=O)Cc1ccc([C@H](C)N2CC[C@](CCCOCc3ccc(OC)cc3)(c3ccccc3)OC2=O)cc1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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99, |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CCCCCCCCCC(=O)Oc1ccc(C(=O)Oc2ccc(C(=O)OC(CCCCCCCC)C(F)(F)F)cc2)cc1</SMILES> starting from <SMILES>CCCCCCCCCC(=O)Cl</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CCCCCCCCCC(=O)Cl</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CCCCCCCCCC(=O)Oc1ccc(C(=O)Oc2ccc(C(=O)OC(CCCCCCCC)C(F)(F)F)cc2)cc1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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No explanations and other information. Only return the SMILES of x. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CCCCCCCCCC(=O)Oc1ccc(C(=O)Oc2ccc(C(=O)OC(CCCCCCCC)C(F)(F)F)cc2)cc1</SMILES> starting from <SMILES>CCCCCCCCCC(=O)Cl</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CCCCCCCCCC(=O)Cl</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CCCCCCCCCC(=O)Oc1ccc(C(=O)Oc2ccc(C(=O)OC(CCCCCCCC)C(F)(F)F)cc2)cc1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>. |
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Think step by step, and format the final answer as <SMILES>SMILES of x</SMILES>. "," |
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Please design a two-step chemical reaction scheme to synthesize <SMILES>CCCCCCCCCC(=O)Oc1ccc(C(=O)Oc2ccc(C(=O)OC(CCCCCCCC)C(F)(F)F)cc2)cc1</SMILES> starting from <SMILES>CCCCCCCCCC(=O)Cl</SMILES>. |
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The reaction consists of two sequential steps: in the first step, <SMILES>CCCCCCCCCC(=O)Cl</SMILES> undergoes a complete chemical reaction to produce an intermediate product <SMILES>x</SMILES>. |
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In the second step, <SMILES>x</SMILES> is used as a reactant to obtain the final product <SMILES>CCCCCCCCCC(=O)Oc1ccc(C(=O)Oc2ccc(C(=O)OC(CCCCCCCC)C(F)(F)F)cc2)cc1</SMILES>. |
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Please provide a possible SMILES representation of the intermediate product <SMILES>x</SMILES>.
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