ID,Question_std,Question_CoT,Question_chem,Reaction1,Reaction2,Intermediate
0,"
Please design a two-step chemical reaction scheme to synthesize CN1C(=O)C2(CC(c3ccccc3F)Oc3ccc(-c4cccc(C#N)c4)cc32)N=C1N starting from CSC1=NC2(CC(c3ccccc3F)Oc3ccc(Br)cc32)C(=O)N1C.
The reaction consists of two sequential steps: in the first step, CSC1=NC2(CC(c3ccccc3F)Oc3ccc(Br)cc32)C(=O)N1C undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CN1C(=O)C2(CC(c3ccccc3F)Oc3ccc(-c4cccc(C#N)c4)cc32)N=C1N.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CN1C(=O)C2(CC(c3ccccc3F)Oc3ccc(-c4cccc(C#N)c4)cc32)N=C1N starting from CSC1=NC2(CC(c3ccccc3F)Oc3ccc(Br)cc32)C(=O)N1C.
The reaction consists of two sequential steps: in the first step, CSC1=NC2(CC(c3ccccc3F)Oc3ccc(Br)cc32)C(=O)N1C undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CN1C(=O)C2(CC(c3ccccc3F)Oc3ccc(-c4cccc(C#N)c4)cc32)N=C1N.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CN1C(=O)C2(CC(c3ccccc3F)Oc3ccc(-c4cccc(C#N)c4)cc32)N=C1N starting from CSC1=NC2(CC(c3ccccc3F)Oc3ccc(Br)cc32)C(=O)N1C.
The reaction consists of two sequential steps: in the first step, CSC1=NC2(CC(c3ccccc3F)Oc3ccc(Br)cc32)C(=O)N1C undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CN1C(=O)C2(CC(c3ccccc3F)Oc3ccc(-c4cccc(C#N)c4)cc32)N=C1N.
Please provide a possible SMILES representation of the intermediate product x.",['CSC1=NC2(CC(c3ccccc3F)Oc3ccc(Br)cc32)C(=O)N1C.[I-].[NH4+]>CCO.N>CN1C(=O)C2(CC(c3ccccc3F)Oc3ccc(Br)cc32)N=C1N'],['CN1C(=O)C2(CC(c3ccccc3F)Oc3ccc(Br)cc32)N=C1N.N#Cc1cccc(B(O)O)c1>Cc1ccccc1C.c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.O=C([O-])[O-].[Na+].[Na+]>CN1C(=O)C2(CC(c3ccccc3F)Oc3ccc(-c4cccc(C#N)c4)cc32)N=C1N'],['CN1C(=O)C2(CC(c3ccccc3F)Oc3ccc(Br)cc32)N=C1N']
1,"
Please design a two-step chemical reaction scheme to synthesize CCN(c1cc(-c2ccc(CN3CCOCC3)c(C#N)c2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 starting from N#Cc1cc(Br)ccc1CBr.
The reaction consists of two sequential steps: in the first step, N#Cc1cc(Br)ccc1CBr undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CCN(c1cc(-c2ccc(CN3CCOCC3)c(C#N)c2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CCN(c1cc(-c2ccc(CN3CCOCC3)c(C#N)c2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 starting from N#Cc1cc(Br)ccc1CBr.
The reaction consists of two sequential steps: in the first step, N#Cc1cc(Br)ccc1CBr undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CCN(c1cc(-c2ccc(CN3CCOCC3)c(C#N)c2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CCN(c1cc(-c2ccc(CN3CCOCC3)c(C#N)c2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 starting from N#Cc1cc(Br)ccc1CBr.
The reaction consists of two sequential steps: in the first step, N#Cc1cc(Br)ccc1CBr undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CCN(c1cc(-c2ccc(CN3CCOCC3)c(C#N)c2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1.
Please provide a possible SMILES representation of the intermediate product x.",['N#Cc1cc(Br)ccc1CBr.C1COCCN1>CO.CCN(CC)CC>N#Cc1cc(Br)ccc1CN1CCOCC1'],['N#Cc1cc(Br)ccc1CN1CCOCC1.CCN(c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1>C1COCCO1.O.c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.O=C([O-])[O-].[Na+].[Na+]>CCN(c1cc(-c2ccc(CN3CCOCC3)c(C#N)c2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1'],['N#Cc1cc(Br)ccc1CN1CCOCC1']
2,"
Please design a two-step chemical reaction scheme to synthesize COc1c(C(C)n2nc(C(F)F)c3c(N)ncnc32)cc(Cl)c(C)c1C1CN(C(C)C)C1 starting from COc1c(C(C)n2nc(C(F)F)c3c(N)ncnc32)cc(Cl)c(C)c1C1CN(C(=O)OC(C)(C)C)C1.
The reaction consists of two sequential steps: in the first step, COc1c(C(C)n2nc(C(F)F)c3c(N)ncnc32)cc(Cl)c(C)c1C1CN(C(=O)OC(C)(C)C)C1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product COc1c(C(C)n2nc(C(F)F)c3c(N)ncnc32)cc(Cl)c(C)c1C1CN(C(C)C)C1.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize COc1c(C(C)n2nc(C(F)F)c3c(N)ncnc32)cc(Cl)c(C)c1C1CN(C(C)C)C1 starting from COc1c(C(C)n2nc(C(F)F)c3c(N)ncnc32)cc(Cl)c(C)c1C1CN(C(=O)OC(C)(C)C)C1.
The reaction consists of two sequential steps: in the first step, COc1c(C(C)n2nc(C(F)F)c3c(N)ncnc32)cc(Cl)c(C)c1C1CN(C(=O)OC(C)(C)C)C1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product COc1c(C(C)n2nc(C(F)F)c3c(N)ncnc32)cc(Cl)c(C)c1C1CN(C(C)C)C1.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize COc1c(C(C)n2nc(C(F)F)c3c(N)ncnc32)cc(Cl)c(C)c1C1CN(C(C)C)C1 starting from COc1c(C(C)n2nc(C(F)F)c3c(N)ncnc32)cc(Cl)c(C)c1C1CN(C(=O)OC(C)(C)C)C1.
The reaction consists of two sequential steps: in the first step, COc1c(C(C)n2nc(C(F)F)c3c(N)ncnc32)cc(Cl)c(C)c1C1CN(C(=O)OC(C)(C)C)C1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product COc1c(C(C)n2nc(C(F)F)c3c(N)ncnc32)cc(Cl)c(C)c1C1CN(C(C)C)C1.
Please provide a possible SMILES representation of the intermediate product x.",['COc1c(C(C)n2nc(C(F)F)c3c(N)ncnc32)cc(Cl)c(C)c1C1CN(C(=O)OC(C)(C)C)C1.Cl>ClCCl.C1COCCO1>COc1c(C(C)n2nc(C(F)F)c3c(N)ncnc32)cc(Cl)c(C)c1C1CNC1.Cl.Cl'],['COc1c(C(C)n2nc(C(F)F)c3c(N)ncnc32)cc(Cl)c(C)c1C1CNC1.Cl.Cl.CC(C)=O>ClCCl.CCN(CC)CC.CC(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>COc1c(C(C)n2nc(C(F)F)c3c(N)ncnc32)cc(Cl)c(C)c1C1CN(C(C)C)C1'],['COc1c(C(C)n2nc(C(F)F)c3c(N)ncnc32)cc(Cl)c(C)c1C1CNC1.Cl.Cl']
3,"
Please design a two-step chemical reaction scheme to synthesize O=C(c1ccc(C2CC2)c(Cc2ccc(F)cc2)n1)N1CCCC12CCNCC2 starting from CC(C)(C)OC(=O)N1CCC2(CCCN2)CC1.
The reaction consists of two sequential steps: in the first step, CC(C)(C)OC(=O)N1CCC2(CCCN2)CC1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product O=C(c1ccc(C2CC2)c(Cc2ccc(F)cc2)n1)N1CCCC12CCNCC2.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize O=C(c1ccc(C2CC2)c(Cc2ccc(F)cc2)n1)N1CCCC12CCNCC2 starting from CC(C)(C)OC(=O)N1CCC2(CCCN2)CC1.
The reaction consists of two sequential steps: in the first step, CC(C)(C)OC(=O)N1CCC2(CCCN2)CC1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product O=C(c1ccc(C2CC2)c(Cc2ccc(F)cc2)n1)N1CCCC12CCNCC2.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize O=C(c1ccc(C2CC2)c(Cc2ccc(F)cc2)n1)N1CCCC12CCNCC2 starting from CC(C)(C)OC(=O)N1CCC2(CCCN2)CC1.
The reaction consists of two sequential steps: in the first step, CC(C)(C)OC(=O)N1CCC2(CCCN2)CC1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product O=C(c1ccc(C2CC2)c(Cc2ccc(F)cc2)n1)N1CCCC12CCNCC2.
Please provide a possible SMILES representation of the intermediate product x.",['O=C(O)c1ccc(C2CC2)c(Cc2ccc(F)cc2)n1.CC(C)(C)OC(=O)N1CCC2(CCCN2)CC1>CN(C)C(On1nnc2ccccc21)=[N+](C)C.F[B-](F)(F)F.CCN(C(C)C)C(C)C>CC(C)(C)OC(=O)N1CCC2(CCCN2C(=O)c2ccc(C3CC3)c(Cc3ccc(F)cc3)n2)CC1'],['CC(C)(C)OC(=O)N1CCC2(CCCN2C(=O)c2ccc(C3CC3)c(Cc3ccc(F)cc3)n2)CC1>ClCCl.O=C(O)C(F)(F)F.O=C([O-])O.[Na+]>O=C(c1ccc(C2CC2)c(Cc2ccc(F)cc2)n1)N1CCCC12CCNCC2'],['CC(C)(C)OC(=O)N1CCC2(CCCN2C(=O)c2ccc(C3CC3)c(Cc3ccc(F)cc3)n2)CC1']
4,"
Please design a two-step chemical reaction scheme to synthesize COc1c(OC(F)F)ccc(-c2cccc3c2CCC3=O)c1O starting from COCOc1c(Br)ccc(OC(F)F)c1OC.
The reaction consists of two sequential steps: in the first step, COCOc1c(Br)ccc(OC(F)F)c1OC undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product COc1c(OC(F)F)ccc(-c2cccc3c2CCC3=O)c1O.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize COc1c(OC(F)F)ccc(-c2cccc3c2CCC3=O)c1O starting from COCOc1c(Br)ccc(OC(F)F)c1OC.
The reaction consists of two sequential steps: in the first step, COCOc1c(Br)ccc(OC(F)F)c1OC undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product COc1c(OC(F)F)ccc(-c2cccc3c2CCC3=O)c1O.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize COc1c(OC(F)F)ccc(-c2cccc3c2CCC3=O)c1O starting from COCOc1c(Br)ccc(OC(F)F)c1OC.
The reaction consists of two sequential steps: in the first step, COCOc1c(Br)ccc(OC(F)F)c1OC undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product COc1c(OC(F)F)ccc(-c2cccc3c2CCC3=O)c1O.
Please provide a possible SMILES representation of the intermediate product x.",['COCOc1c(Br)ccc(OC(F)F)c1OC.CC1(C)OB(c2cccc3c2CCC3=O)OC1(C)C>CN(C)C=O.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.O=C([O-])[O-].[Cs+].[Cs+]>COCOc1c(-c2cccc3c2CCC3=O)ccc(OC(F)F)c1OC'],['COCOc1c(-c2cccc3c2CCC3=O)ccc(OC(F)F)c1OC>CO.Cl>COc1c(OC(F)F)ccc(-c2cccc3c2CCC3=O)c1O'],['COCOc1c(-c2cccc3c2CCC3=O)ccc(OC(F)F)c1OC']
5,"
Please design a two-step chemical reaction scheme to synthesize CC(C)(C)OC(=O)N1CCC(CSCC(=O)c2ccncc2)CC1 starting from BrBr.
The reaction consists of two sequential steps: in the first step, BrBr undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CC(C)(C)OC(=O)N1CCC(CSCC(=O)c2ccncc2)CC1.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CC(C)(C)OC(=O)N1CCC(CSCC(=O)c2ccncc2)CC1 starting from BrBr.
The reaction consists of two sequential steps: in the first step, BrBr undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CC(C)(C)OC(=O)N1CCC(CSCC(=O)c2ccncc2)CC1.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CC(C)(C)OC(=O)N1CCC(CSCC(=O)c2ccncc2)CC1 starting from BrBr.
The reaction consists of two sequential steps: in the first step, BrBr undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CC(C)(C)OC(=O)N1CCC(CSCC(=O)c2ccncc2)CC1.
Please provide a possible SMILES representation of the intermediate product x.",['BrBr.CC(=O)c1ccncc1.Br.CC(=O)O>CCOC(C)=O>Br.O=C(CBr)c1ccncc1'],['CC(C)(C)OC(=O)N1CCC(CS)CC1.Br.O=C(CBr)c1ccncc1>C1COCCO1.CCOC(C)=O.CC(C)(C)[O-].[K+]>CC(C)(C)OC(=O)N1CCC(CSCC(=O)c2ccncc2)CC1'],['Br.O=C(CBr)c1ccncc1']
6,"
Please design a two-step chemical reaction scheme to synthesize COc1cc2c(C3CCN(C(=O)OC(C)(C)C)CC3)ncnc2cc1OCCCN1CCN(C)CC1 starting from CC(C)(C)OC(=O)N1CCC(c2ncnc3cc(F)c(F)cc23)CC1.
The reaction consists of two sequential steps: in the first step, CC(C)(C)OC(=O)N1CCC(c2ncnc3cc(F)c(F)cc23)CC1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product COc1cc2c(C3CCN(C(=O)OC(C)(C)C)CC3)ncnc2cc1OCCCN1CCN(C)CC1.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize COc1cc2c(C3CCN(C(=O)OC(C)(C)C)CC3)ncnc2cc1OCCCN1CCN(C)CC1 starting from CC(C)(C)OC(=O)N1CCC(c2ncnc3cc(F)c(F)cc23)CC1.
The reaction consists of two sequential steps: in the first step, CC(C)(C)OC(=O)N1CCC(c2ncnc3cc(F)c(F)cc23)CC1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product COc1cc2c(C3CCN(C(=O)OC(C)(C)C)CC3)ncnc2cc1OCCCN1CCN(C)CC1.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize COc1cc2c(C3CCN(C(=O)OC(C)(C)C)CC3)ncnc2cc1OCCCN1CCN(C)CC1 starting from CC(C)(C)OC(=O)N1CCC(c2ncnc3cc(F)c(F)cc23)CC1.
The reaction consists of two sequential steps: in the first step, CC(C)(C)OC(=O)N1CCC(c2ncnc3cc(F)c(F)cc23)CC1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product COc1cc2c(C3CCN(C(=O)OC(C)(C)C)CC3)ncnc2cc1OCCCN1CCN(C)CC1.
Please provide a possible SMILES representation of the intermediate product x.",['CC(C)(C)OC(=O)N1CCC(c2ncnc3cc(F)c(F)cc23)CC1.CN1CCN(CCCO)CC1>C1CCOC1.CC(C)(C)[O-].[K+]>CN1CCN(CCCOc2cc3ncnc(C4CCN(C(=O)OC(C)(C)C)CC4)c3cc2F)CC1'],['CN1CCN(CCCOc2cc3ncnc(C4CCN(C(=O)OC(C)(C)C)CC4)c3cc2F)CC1.CO.CO[K]>ClCCl.CS(C)=O>COc1cc2c(C3CCN(C(=O)OC(C)(C)C)CC3)ncnc2cc1OCCCN1CCN(C)CC1'],['CN1CCN(CCCOc2cc3ncnc(C4CCN(C(=O)OC(C)(C)C)CC4)c3cc2F)CC1']
7,"
Please design a two-step chemical reaction scheme to synthesize O=C(O)c1cc2ccc([N+](=O)[O-])cc2o1 starting from O=[N+]([O-])c1ccc(CO)c(O)c1.
The reaction consists of two sequential steps: in the first step, O=[N+]([O-])c1ccc(CO)c(O)c1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product O=C(O)c1cc2ccc([N+](=O)[O-])cc2o1.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize O=C(O)c1cc2ccc([N+](=O)[O-])cc2o1 starting from O=[N+]([O-])c1ccc(CO)c(O)c1.
The reaction consists of two sequential steps: in the first step, O=[N+]([O-])c1ccc(CO)c(O)c1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product O=C(O)c1cc2ccc([N+](=O)[O-])cc2o1.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize O=C(O)c1cc2ccc([N+](=O)[O-])cc2o1 starting from O=[N+]([O-])c1ccc(CO)c(O)c1.
The reaction consists of two sequential steps: in the first step, O=[N+]([O-])c1ccc(CO)c(O)c1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product O=C(O)c1cc2ccc([N+](=O)[O-])cc2o1.
Please provide a possible SMILES representation of the intermediate product x.",['O=[N+]([O-])c1ccc(CO)c(O)c1>ClC(Cl)Cl.[Mn+4].[O-2].[O-2]>O=Cc1ccc([N+](=O)[O-])cc1O'],['O=Cc1ccc([N+](=O)[O-])cc1O.COC(=O)CCl>CCCC[N+](CCCC)(CCCC)CCCC.[I-].O.C1CCOC1.O=C([O-])[O-].[K+].[K+].[K+].[OH-].Cl>O=C(O)c1cc2ccc([N+](=O)[O-])cc2o1'],['O=Cc1ccc([N+](=O)[O-])cc1O']
8,"
Please design a two-step chemical reaction scheme to synthesize CC(C)(C)OC(=O)N1CCC(C=O)(CCO[Si](C)(C)C(C)(C)C)CC1 starting from COC(=O)C1(CCO[Si](C)(C)C(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1.
The reaction consists of two sequential steps: in the first step, COC(=O)C1(CCO[Si](C)(C)C(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CC(C)(C)OC(=O)N1CCC(C=O)(CCO[Si](C)(C)C(C)(C)C)CC1.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CC(C)(C)OC(=O)N1CCC(C=O)(CCO[Si](C)(C)C(C)(C)C)CC1 starting from COC(=O)C1(CCO[Si](C)(C)C(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1.
The reaction consists of two sequential steps: in the first step, COC(=O)C1(CCO[Si](C)(C)C(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CC(C)(C)OC(=O)N1CCC(C=O)(CCO[Si](C)(C)C(C)(C)C)CC1.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CC(C)(C)OC(=O)N1CCC(C=O)(CCO[Si](C)(C)C(C)(C)C)CC1 starting from COC(=O)C1(CCO[Si](C)(C)C(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1.
The reaction consists of two sequential steps: in the first step, COC(=O)C1(CCO[Si](C)(C)C(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CC(C)(C)OC(=O)N1CCC(C=O)(CCO[Si](C)(C)C(C)(C)C)CC1.
Please provide a possible SMILES representation of the intermediate product x.",['COC(=O)C1(CCO[Si](C)(C)C(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1>C1CCOC1.[BH4-].[Li+]>CC(C)(C)OC(=O)N1CCC(CO)(CCO[Si](C)(C)C(C)(C)C)CC1'],['CC(C)(C)OC(=O)N1CCC(CO)(CCO[Si](C)(C)C(C)(C)C)CC1>ClCCl.O.O=C(Cl)C(=O)Cl.CS(C)=O.CCN(CC)CC>CC(C)(C)OC(=O)N1CCC(C=O)(CCO[Si](C)(C)C(C)(C)C)CC1'],['CC(C)(C)OC(=O)N1CCC(CO)(CCO[Si](C)(C)C(C)(C)C)CC1']
9,"
Please design a two-step chemical reaction scheme to synthesize CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)c(F)c2)[C@H](/C=N/O)C1 starting from CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)c(F)c2)[C@H](CO)C1.
The reaction consists of two sequential steps: in the first step, CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)c(F)c2)[C@H](CO)C1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)c(F)c2)[C@H](/C=N/O)C1.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)c(F)c2)[C@H](/C=N/O)C1 starting from CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)c(F)c2)[C@H](CO)C1.
The reaction consists of two sequential steps: in the first step, CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)c(F)c2)[C@H](CO)C1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)c(F)c2)[C@H](/C=N/O)C1.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)c(F)c2)[C@H](/C=N/O)C1 starting from CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)c(F)c2)[C@H](CO)C1.
The reaction consists of two sequential steps: in the first step, CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)c(F)c2)[C@H](CO)C1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)c(F)c2)[C@H](/C=N/O)C1.
Please provide a possible SMILES representation of the intermediate product x.",['CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)c(F)c2)[C@H](CO)C1>ClCCl.c1ccncc1.CC(=O)OI1(OC(C)=O)(OC(C)=O)OC(=O)c2ccccc21>CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)c(F)c2)[C@H](C=O)C1'],['CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)c(F)c2)[C@H](C=O)C1.Cl.NO>CCO.O=C([O-])[O-].[Na+].[Na+]>CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)c(F)c2)[C@H](/C=N/O)C1'],['CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)c(F)c2)[C@H](C=O)C1']
10,"
Please design a two-step chemical reaction scheme to synthesize FC(F)(F)c1ccc(OCc2ccccc2)c(C2=CCCCC2)c1 starting from FC(F)(F)c1ccc(OCc2ccccc2)c(I)c1.
The reaction consists of two sequential steps: in the first step, FC(F)(F)c1ccc(OCc2ccccc2)c(I)c1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product FC(F)(F)c1ccc(OCc2ccccc2)c(C2=CCCCC2)c1.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize FC(F)(F)c1ccc(OCc2ccccc2)c(C2=CCCCC2)c1 starting from FC(F)(F)c1ccc(OCc2ccccc2)c(I)c1.
The reaction consists of two sequential steps: in the first step, FC(F)(F)c1ccc(OCc2ccccc2)c(I)c1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product FC(F)(F)c1ccc(OCc2ccccc2)c(C2=CCCCC2)c1.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize FC(F)(F)c1ccc(OCc2ccccc2)c(C2=CCCCC2)c1 starting from FC(F)(F)c1ccc(OCc2ccccc2)c(I)c1.
The reaction consists of two sequential steps: in the first step, FC(F)(F)c1ccc(OCc2ccccc2)c(I)c1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product FC(F)(F)c1ccc(OCc2ccccc2)c(C2=CCCCC2)c1.
Please provide a possible SMILES representation of the intermediate product x.",['O=C1CCCCC1.[Mg].FC(F)(F)c1ccc(OCc2ccccc2)c(I)c1>CCOCC>OC1(c2cc(C(F)(F)F)ccc2OCc2ccccc2)CCCCC1'],['OC1(c2cc(C(F)(F)F)ccc2OCc2ccccc2)CCCCC1>Cc1ccccc1.Cc1ccc(S(=O)(=O)O)cc1>FC(F)(F)c1ccc(OCc2ccccc2)c(C2=CCCCC2)c1'],['OC1(c2cc(C(F)(F)F)ccc2OCc2ccccc2)CCCCC1']
11,"
Please design a two-step chemical reaction scheme to synthesize CC1(C)CCC(=O)CC1S(=O)(=O)c1ccccc1 starting from CC(C)C=O.
The reaction consists of two sequential steps: in the first step, CC(C)C=O undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CC1(C)CCC(=O)CC1S(=O)(=O)c1ccccc1.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CC1(C)CCC(=O)CC1S(=O)(=O)c1ccccc1 starting from CC(C)C=O.
The reaction consists of two sequential steps: in the first step, CC(C)C=O undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CC1(C)CCC(=O)CC1S(=O)(=O)c1ccccc1.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CC1(C)CCC(=O)CC1S(=O)(=O)c1ccccc1 starting from CC(C)C=O.
The reaction consists of two sequential steps: in the first step, CC(C)C=O undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CC1(C)CCC(=O)CC1S(=O)(=O)c1ccccc1.
Please provide a possible SMILES representation of the intermediate product x.",['C=CC(C)=O.CC(C)C=O>c1ccccc1.O=S(=O)(O)O>CC1(C)C=CC(=O)CC1'],['O=S(O)c1ccccc1.[Na].CC1(C)C=CC(=O)CC1>O.Cl>CC1(C)CCC(=O)CC1S(=O)(=O)c1ccccc1'],['CC1(C)C=CC(=O)CC1']
12,"
Please design a two-step chemical reaction scheme to synthesize CC(C)CC(=O)N1CCC[C@@H](CO)C1 starting from O=C(O)[C@@H]1CCCNC1.
The reaction consists of two sequential steps: in the first step, O=C(O)[C@@H]1CCCNC1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CC(C)CC(=O)N1CCC[C@@H](CO)C1.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CC(C)CC(=O)N1CCC[C@@H](CO)C1 starting from O=C(O)[C@@H]1CCCNC1.
The reaction consists of two sequential steps: in the first step, O=C(O)[C@@H]1CCCNC1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CC(C)CC(=O)N1CCC[C@@H](CO)C1.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CC(C)CC(=O)N1CCC[C@@H](CO)C1 starting from O=C(O)[C@@H]1CCCNC1.
The reaction consists of two sequential steps: in the first step, O=C(O)[C@@H]1CCCNC1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CC(C)CC(=O)N1CCC[C@@H](CO)C1.
Please provide a possible SMILES representation of the intermediate product x.",['O=C(O)[C@@H]1CCCNC1.CC(C)CC(=O)Cl>O.C1CCOC1.O=C([O-])O.[Na+]>CC(C)CC(=O)N1CCC[C@@H](C(=O)O)C1'],['CC(C)CC(=O)N1CCC[C@@H](C(=O)O)C1>C1CCOC1>CC(C)CC(=O)N1CCC[C@@H](CO)C1'],['CC(C)CC(=O)N1CCC[C@@H](C(=O)O)C1']
13,"
Please design a two-step chemical reaction scheme to synthesize N#Cc1cc(NC(=O)c2cc(-c3ccccn3)c(F)cc2Cl)n(-c2ccccc2)n1 starting from COC(=O)c1cc(-c2ccccn2)c(F)cc1Cl.
The reaction consists of two sequential steps: in the first step, COC(=O)c1cc(-c2ccccn2)c(F)cc1Cl undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product N#Cc1cc(NC(=O)c2cc(-c3ccccn3)c(F)cc2Cl)n(-c2ccccc2)n1.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize N#Cc1cc(NC(=O)c2cc(-c3ccccn3)c(F)cc2Cl)n(-c2ccccc2)n1 starting from COC(=O)c1cc(-c2ccccn2)c(F)cc1Cl.
The reaction consists of two sequential steps: in the first step, COC(=O)c1cc(-c2ccccn2)c(F)cc1Cl undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product N#Cc1cc(NC(=O)c2cc(-c3ccccn3)c(F)cc2Cl)n(-c2ccccc2)n1.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize N#Cc1cc(NC(=O)c2cc(-c3ccccn3)c(F)cc2Cl)n(-c2ccccc2)n1 starting from COC(=O)c1cc(-c2ccccn2)c(F)cc1Cl.
The reaction consists of two sequential steps: in the first step, COC(=O)c1cc(-c2ccccn2)c(F)cc1Cl undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product N#Cc1cc(NC(=O)c2cc(-c3ccccn3)c(F)cc2Cl)n(-c2ccccc2)n1.
Please provide a possible SMILES representation of the intermediate product x.",['COC(=O)c1cc(-c2ccccn2)c(F)cc1Cl>CO.[Na+].[OH-]>O=C(O)c1cc(-c2ccccn2)c(F)cc1Cl'],['O=C(O)c1cc(-c2ccccn2)c(F)cc1Cl.N#Cc1cc(N)n(-c2ccccc2)n1>>N#Cc1cc(NC(=O)c2cc(-c3ccccn3)c(F)cc2Cl)n(-c2ccccc2)n1'],['O=C(O)c1cc(-c2ccccn2)c(F)cc1Cl']
14,"
Please design a two-step chemical reaction scheme to synthesize O=C1C[C@H](c2ccc(Cl)cc2/C=C/c2ccccc2)CN1 starting from Nc1cc([C@@H]2CNC(=O)C2)c(Br)cc1Cl.
The reaction consists of two sequential steps: in the first step, Nc1cc([C@@H]2CNC(=O)C2)c(Br)cc1Cl undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product O=C1C[C@H](c2ccc(Cl)cc2/C=C/c2ccccc2)CN1.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize O=C1C[C@H](c2ccc(Cl)cc2/C=C/c2ccccc2)CN1 starting from Nc1cc([C@@H]2CNC(=O)C2)c(Br)cc1Cl.
The reaction consists of two sequential steps: in the first step, Nc1cc([C@@H]2CNC(=O)C2)c(Br)cc1Cl undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product O=C1C[C@H](c2ccc(Cl)cc2/C=C/c2ccccc2)CN1.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize O=C1C[C@H](c2ccc(Cl)cc2/C=C/c2ccccc2)CN1 starting from Nc1cc([C@@H]2CNC(=O)C2)c(Br)cc1Cl.
The reaction consists of two sequential steps: in the first step, Nc1cc([C@@H]2CNC(=O)C2)c(Br)cc1Cl undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product O=C1C[C@H](c2ccc(Cl)cc2/C=C/c2ccccc2)CN1.
Please provide a possible SMILES representation of the intermediate product x.",['Nc1cc([C@@H]2CNC(=O)C2)c(Br)cc1Cl>O=S(=O)(O)O.CCOC(C)=O.O.O=N[O-].[Na+]>O=C1C[C@H](c2ccc(Cl)cc2Br)CN1'],['O=C1C[C@H](c2ccc(Cl)cc2Br)CN1.C=Cc1ccccc1>CN(C)C=O.Cl.CC(=O)[O-].CC(=O)[O-].[Pd+2].c1ccc(P(c2ccccc2)c2ccccc2)cc1.CCN(C(C)C)C(C)C>O=C1C[C@H](c2ccc(Cl)cc2/C=C/c2ccccc2)CN1'],['O=C1C[C@H](c2ccc(Cl)cc2Br)CN1']
15,"
Please design a two-step chemical reaction scheme to synthesize 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 starting from CCCCN.
The reaction consists of two sequential steps: in the first step, CCCCN undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product 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.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize 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 starting from CCCCN.
The reaction consists of two sequential steps: in the first step, CCCCN undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product 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.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize 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 starting from CCCCN.
The reaction consists of two sequential steps: in the first step, CCCCN undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product 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.
Please provide a possible SMILES representation of the intermediate product x.",['CC1(C)CC(=O)CC(C)(C)N1OC1CCCCC1.CCCCN>O=[Pt].CCO.[H][H]>CCCCNC1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1'],['CCCCNc1nc(Cl)nc(Cl)n1.CCCCNC1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1.[Na+].[OH-]>Cc1ccccc1C>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'],['CCCCNC1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1']
16,"
Please design a two-step chemical reaction scheme to synthesize CCCCCCCCCCCCCCCCCCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)nc(N)nc21 starting from CC(=O)OC[C@H]1O[C@@H](n2cnc3c(Cl)nc(N)nc32)[C@@](O)(C(C)=O)[C@@]1(O)C(C)=O.
The reaction consists of two sequential steps: in the first step, CC(=O)OC[C@H]1O[C@@H](n2cnc3c(Cl)nc(N)nc32)[C@@](O)(C(C)=O)[C@@]1(O)C(C)=O undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CCCCCCCCCCCCCCCCCCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)nc(N)nc21.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CCCCCCCCCCCCCCCCCCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)nc(N)nc21 starting from CC(=O)OC[C@H]1O[C@@H](n2cnc3c(Cl)nc(N)nc32)[C@@](O)(C(C)=O)[C@@]1(O)C(C)=O.
The reaction consists of two sequential steps: in the first step, CC(=O)OC[C@H]1O[C@@H](n2cnc3c(Cl)nc(N)nc32)[C@@](O)(C(C)=O)[C@@]1(O)C(C)=O undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CCCCCCCCCCCCCCCCCCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)nc(N)nc21.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CCCCCCCCCCCCCCCCCCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)nc(N)nc21 starting from CC(=O)OC[C@H]1O[C@@H](n2cnc3c(Cl)nc(N)nc32)[C@@](O)(C(C)=O)[C@@]1(O)C(C)=O.
The reaction consists of two sequential steps: in the first step, CC(=O)OC[C@H]1O[C@@H](n2cnc3c(Cl)nc(N)nc32)[C@@](O)(C(C)=O)[C@@]1(O)C(C)=O undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CCCCCCCCCCCCCCCCCCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)nc(N)nc21.
Please provide a possible SMILES representation of the intermediate product x.",['CC(=O)OC[C@H]1O[C@@H](n2cnc3c(Cl)nc(N)nc32)[C@@](O)(C(C)=O)[C@@]1(O)C(C)=O.N>>Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1'],['Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1.CCCCCCCCCCCCCCCCCCI>CN(C)C=O.[H-].[Na+]>CCCCCCCCCCCCCCCCCCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)nc(N)nc21'],['Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1']
17,"
Please design a two-step chemical reaction scheme to synthesize NCC(O)C1CC(F)(F)C1 starting from O=CC1CC(F)(F)C1.
The reaction consists of two sequential steps: in the first step, O=CC1CC(F)(F)C1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product NCC(O)C1CC(F)(F)C1.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize NCC(O)C1CC(F)(F)C1 starting from O=CC1CC(F)(F)C1.
The reaction consists of two sequential steps: in the first step, O=CC1CC(F)(F)C1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product NCC(O)C1CC(F)(F)C1.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize NCC(O)C1CC(F)(F)C1 starting from O=CC1CC(F)(F)C1.
The reaction consists of two sequential steps: in the first step, O=CC1CC(F)(F)C1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product NCC(O)C1CC(F)(F)C1.
Please provide a possible SMILES representation of the intermediate product x.",['O=CC1CC(F)(F)C1.C[N+](=O)[O-]>ClCCl.CCN(C(C)C)C(C)C>O=[N+]([O-])CC(O)C1CC(F)(F)C1'],['O=[N+]([O-])CC(O)C1CC(F)(F)C1>CO.[Pd]>NCC(O)C1CC(F)(F)C1'],['O=[N+]([O-])CC(O)C1CC(F)(F)C1']
18,"
Please design a two-step chemical reaction scheme to synthesize COc1ccnc2[nH]cc(C(c3ccccc3)C(C(=O)O)C(=O)O)c12 starting from COc1ccnc2[nH]ccc12.
The reaction consists of two sequential steps: in the first step, COc1ccnc2[nH]ccc12 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product COc1ccnc2[nH]cc(C(c3ccccc3)C(C(=O)O)C(=O)O)c12.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize COc1ccnc2[nH]cc(C(c3ccccc3)C(C(=O)O)C(=O)O)c12 starting from COc1ccnc2[nH]ccc12.
The reaction consists of two sequential steps: in the first step, COc1ccnc2[nH]ccc12 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product COc1ccnc2[nH]cc(C(c3ccccc3)C(C(=O)O)C(=O)O)c12.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize COc1ccnc2[nH]cc(C(c3ccccc3)C(C(=O)O)C(=O)O)c12 starting from COc1ccnc2[nH]ccc12.
The reaction consists of two sequential steps: in the first step, COc1ccnc2[nH]ccc12 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product COc1ccnc2[nH]cc(C(c3ccccc3)C(C(=O)O)C(=O)O)c12.
Please provide a possible SMILES representation of the intermediate product x.",['COc1ccnc2[nH]ccc12.CC(C)[Mg]Cl.CCC1(CC)C(=O)OC(c2ccccc2)OC1=O>Cc1ccccc1>CCOC(=O)C(C(=O)OCC)C(c1ccccc1)c1c[nH]c2nccc(OC)c12'],['CCOC(=O)C(C(=O)OCC)C(c1ccccc1)c1c[nH]c2nccc(OC)c12>C1CCOC1.CCO.O.[K+].[OH-]>COc1ccnc2[nH]cc(C(c3ccccc3)C(C(=O)O)C(=O)O)c12'],['CCOC(=O)C(C(=O)OCC)C(c1ccccc1)c1c[nH]c2nccc(OC)c12']
19,"
Please design a two-step chemical reaction scheme to synthesize CC(C)(C)OC(=O)N1CCC(c2ncnc3c2oc2ccc(Cl)cc23)C1 starting from CC(C)(C)OC(=O)N1CCC(O)C1.
The reaction consists of two sequential steps: in the first step, CC(C)(C)OC(=O)N1CCC(O)C1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CC(C)(C)OC(=O)N1CCC(c2ncnc3c2oc2ccc(Cl)cc23)C1.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CC(C)(C)OC(=O)N1CCC(c2ncnc3c2oc2ccc(Cl)cc23)C1 starting from CC(C)(C)OC(=O)N1CCC(O)C1.
The reaction consists of two sequential steps: in the first step, CC(C)(C)OC(=O)N1CCC(O)C1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CC(C)(C)OC(=O)N1CCC(c2ncnc3c2oc2ccc(Cl)cc23)C1.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CC(C)(C)OC(=O)N1CCC(c2ncnc3c2oc2ccc(Cl)cc23)C1 starting from CC(C)(C)OC(=O)N1CCC(O)C1.
The reaction consists of two sequential steps: in the first step, CC(C)(C)OC(=O)N1CCC(O)C1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CC(C)(C)OC(=O)N1CCC(c2ncnc3c2oc2ccc(Cl)cc23)C1.
Please provide a possible SMILES representation of the intermediate product x.",['CC(C)(C)OC(=O)N1CCC(O)C1.II>ClCCl.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1c[nH]cn1>CC(C)(C)OC(=O)N1CCC(I)C1'],['Clc1ccc2oc3c(Cl)ncnc3c2c1.CC(C)(C)OC(=O)N1CCC(I)C1>>CC(C)(C)OC(=O)N1CCC(c2ncnc3c2oc2ccc(Cl)cc23)C1'],['CC(C)(C)OC(=O)N1CCC(I)C1']
20,"
Please design a two-step chemical reaction scheme to synthesize Cc1c(CC(=O)O)c2cc(O)ccc2n1C(=O)c1ccc(OC(F)(F)F)cc1 starting from COc1ccc(N(N)C(=O)c2ccc(OC(F)(F)F)cc2)cc1.Cl.
The reaction consists of two sequential steps: in the first step, COc1ccc(N(N)C(=O)c2ccc(OC(F)(F)F)cc2)cc1.Cl undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product Cc1c(CC(=O)O)c2cc(O)ccc2n1C(=O)c1ccc(OC(F)(F)F)cc1.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize Cc1c(CC(=O)O)c2cc(O)ccc2n1C(=O)c1ccc(OC(F)(F)F)cc1 starting from COc1ccc(N(N)C(=O)c2ccc(OC(F)(F)F)cc2)cc1.Cl.
The reaction consists of two sequential steps: in the first step, COc1ccc(N(N)C(=O)c2ccc(OC(F)(F)F)cc2)cc1.Cl undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product Cc1c(CC(=O)O)c2cc(O)ccc2n1C(=O)c1ccc(OC(F)(F)F)cc1.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize Cc1c(CC(=O)O)c2cc(O)ccc2n1C(=O)c1ccc(OC(F)(F)F)cc1 starting from COc1ccc(N(N)C(=O)c2ccc(OC(F)(F)F)cc2)cc1.Cl.
The reaction consists of two sequential steps: in the first step, COc1ccc(N(N)C(=O)c2ccc(OC(F)(F)F)cc2)cc1.Cl undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product Cc1c(CC(=O)O)c2cc(O)ccc2n1C(=O)c1ccc(OC(F)(F)F)cc1.
Please provide a possible SMILES representation of the intermediate product x.",['CC(=O)CCC(=O)O.COc1ccc(N(N)C(=O)c2ccc(OC(F)(F)F)cc2)cc1.Cl>CC(=O)O>COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(OC(F)(F)F)cc1'],['COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(OC(F)(F)F)cc1>ClCCl.BrB(Br)Br>Cc1c(CC(=O)O)c2cc(O)ccc2n1C(=O)c1ccc(OC(F)(F)F)cc1'],['COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(OC(F)(F)F)cc1']
21,"
Please design a two-step chemical reaction scheme to synthesize CN1CCC(CN2CCN(Cc3ccccc3)CC2)(c2ccccc2)CC1 starting from CN1CCC(C(=O)O)(c2ccccc2)CC1.Cl.
The reaction consists of two sequential steps: in the first step, CN1CCC(C(=O)O)(c2ccccc2)CC1.Cl undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CN1CCC(CN2CCN(Cc3ccccc3)CC2)(c2ccccc2)CC1.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CN1CCC(CN2CCN(Cc3ccccc3)CC2)(c2ccccc2)CC1 starting from CN1CCC(C(=O)O)(c2ccccc2)CC1.Cl.
The reaction consists of two sequential steps: in the first step, CN1CCC(C(=O)O)(c2ccccc2)CC1.Cl undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CN1CCC(CN2CCN(Cc3ccccc3)CC2)(c2ccccc2)CC1.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CN1CCC(CN2CCN(Cc3ccccc3)CC2)(c2ccccc2)CC1 starting from CN1CCC(C(=O)O)(c2ccccc2)CC1.Cl.
The reaction consists of two sequential steps: in the first step, CN1CCC(C(=O)O)(c2ccccc2)CC1.Cl undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CN1CCC(CN2CCN(Cc3ccccc3)CC2)(c2ccccc2)CC1.
Please provide a possible SMILES representation of the intermediate product x.",['CN1CCC(C(=O)O)(c2ccccc2)CC1.Cl.c1ccc(CN2CCNCC2)cc1>CN(C)c1ccncc1.ClCCl.CCN(CC)CC.ClCCCl>CN1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)(c2ccccc2)CC1'],['CN1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)(c2ccccc2)CC1>C1CCOC1.[Al+3].[H-].[H-].[H-].[H-].[Li+]>CN1CCC(CN2CCN(Cc3ccccc3)CC2)(c2ccccc2)CC1'],['CN1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)(c2ccccc2)CC1']
22,"
Please design a two-step chemical reaction scheme to synthesize CCc1cn(CC(=O)O)c(CCc2ccc(F)cc2)nc1=O starting from CC(C)(C)OC(=O)CI.
The reaction consists of two sequential steps: in the first step, CC(C)(C)OC(=O)CI undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CCc1cn(CC(=O)O)c(CCc2ccc(F)cc2)nc1=O.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CCc1cn(CC(=O)O)c(CCc2ccc(F)cc2)nc1=O starting from CC(C)(C)OC(=O)CI.
The reaction consists of two sequential steps: in the first step, CC(C)(C)OC(=O)CI undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CCc1cn(CC(=O)O)c(CCc2ccc(F)cc2)nc1=O.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CCc1cn(CC(=O)O)c(CCc2ccc(F)cc2)nc1=O starting from CC(C)(C)OC(=O)CI.
The reaction consists of two sequential steps: in the first step, CC(C)(C)OC(=O)CI undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CCc1cn(CC(=O)O)c(CCc2ccc(F)cc2)nc1=O.
Please provide a possible SMILES representation of the intermediate product x.",['CCc1c[nH]c(CCc2ccc(F)cc2)nc1=O.CC(C)(C)OC(=O)CI>ClCCl.CCN(C(C)C)C(C)C>CCc1cn(CC(=O)OC(C)(C)C)c(CCc2ccc(F)cc2)nc1=O'],['CCc1cn(CC(=O)OC(C)(C)C)c(CCc2ccc(F)cc2)nc1=O>O=C(O)C(F)(F)F>CCc1cn(CC(=O)O)c(CCc2ccc(F)cc2)nc1=O'],['CCc1cn(CC(=O)OC(C)(C)C)c(CCc2ccc(F)cc2)nc1=O']
23,"
Please design a two-step chemical reaction scheme to synthesize CCNc1cc(N)ccc1[N+](=O)[O-] starting from CC(=O)Nc1ccc([N+](=O)[O-])c(F)c1.
The reaction consists of two sequential steps: in the first step, CC(=O)Nc1ccc([N+](=O)[O-])c(F)c1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CCNc1cc(N)ccc1[N+](=O)[O-].
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CCNc1cc(N)ccc1[N+](=O)[O-] starting from CC(=O)Nc1ccc([N+](=O)[O-])c(F)c1.
The reaction consists of two sequential steps: in the first step, CC(=O)Nc1ccc([N+](=O)[O-])c(F)c1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CCNc1cc(N)ccc1[N+](=O)[O-].
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CCNc1cc(N)ccc1[N+](=O)[O-] starting from CC(=O)Nc1ccc([N+](=O)[O-])c(F)c1.
The reaction consists of two sequential steps: in the first step, CC(=O)Nc1ccc([N+](=O)[O-])c(F)c1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CCNc1cc(N)ccc1[N+](=O)[O-].
Please provide a possible SMILES representation of the intermediate product x.",['CC(=O)Nc1ccc([N+](=O)[O-])c(F)c1.CCN>>CCNc1cc(NC(C)=O)ccc1[N+](=O)[O-]'],['CCNc1cc(NC(C)=O)ccc1[N+](=O)[O-]>Cl>CCNc1cc(N)ccc1[N+](=O)[O-]'],['CCNc1cc(NC(C)=O)ccc1[N+](=O)[O-]']
24,"
Please design a two-step chemical reaction scheme to synthesize 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 starting from CCC(O)(CC)CCBr.
The reaction consists of two sequential steps: in the first step, CCC(O)(CC)CCBr undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product 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.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize 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 starting from CCC(O)(CC)CCBr.
The reaction consists of two sequential steps: in the first step, CCC(O)(CC)CCBr undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product 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.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize 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 starting from CCC(O)(CC)CCBr.
The reaction consists of two sequential steps: in the first step, CCC(O)(CC)CCBr undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product 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.
Please provide a possible SMILES representation of the intermediate product x.",['C[C@H](SC(=O)Oc1ccccc1)C1=CC[C@H]2C3=CC=C4C[C@@H](O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@]4(C)[C@H]3CC[C@]12C.CCC(O)(CC)CCBr>CO.C1CCOC1.[K+].[OH-]>CCC(O)(CC)CCS[C@@H](C)C1=CC[C@H]2C3=CC=C4C[C@@H](O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@]4(C)[C@H]3CC[C@]12C'],['CCC(O)(CC)CCS[C@@H](C)C1=CC[C@H]2C3=CC=C4C[C@@H](O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@]4(C)[C@H]3CC[C@]12C>C1CCOC1.CCCC[N+](CCCC)(CCCC)CCCC.[F-]>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'],['CCC(O)(CC)CCS[C@@H](C)C1=CC[C@H]2C3=CC=C4C[C@@H](O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@]4(C)[C@H]3CC[C@]12C']
25,"
Please design a two-step chemical reaction scheme to synthesize O=C1c2cnc3cccc(n23)CN1CC1CCN(C(=O)C(F)(F)F)CC1 starting from CC(C)(C)OC(=O)N1CCC(CN2Cc3cccc4ncc(n34)C2=O)CC1.
The reaction consists of two sequential steps: in the first step, CC(C)(C)OC(=O)N1CCC(CN2Cc3cccc4ncc(n34)C2=O)CC1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product O=C1c2cnc3cccc(n23)CN1CC1CCN(C(=O)C(F)(F)F)CC1.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize O=C1c2cnc3cccc(n23)CN1CC1CCN(C(=O)C(F)(F)F)CC1 starting from CC(C)(C)OC(=O)N1CCC(CN2Cc3cccc4ncc(n34)C2=O)CC1.
The reaction consists of two sequential steps: in the first step, CC(C)(C)OC(=O)N1CCC(CN2Cc3cccc4ncc(n34)C2=O)CC1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product O=C1c2cnc3cccc(n23)CN1CC1CCN(C(=O)C(F)(F)F)CC1.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize O=C1c2cnc3cccc(n23)CN1CC1CCN(C(=O)C(F)(F)F)CC1 starting from CC(C)(C)OC(=O)N1CCC(CN2Cc3cccc4ncc(n34)C2=O)CC1.
The reaction consists of two sequential steps: in the first step, CC(C)(C)OC(=O)N1CCC(CN2Cc3cccc4ncc(n34)C2=O)CC1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product O=C1c2cnc3cccc(n23)CN1CC1CCN(C(=O)C(F)(F)F)CC1.
Please provide a possible SMILES representation of the intermediate product x.",['CC(C)(C)OC(=O)N1CCC(CN2Cc3cccc4ncc(n34)C2=O)CC1.Cl>CCO>Cl.Cl.O=C1c2cnc3cccc(n23)CN1CC1CCNCC1'],['Cl.Cl.O=C1c2cnc3cccc(n23)CN1CC1CCNCC1.O=C(OC(=O)C(F)(F)F)C(F)(F)F>CC#N.CCN(CC)CC>O=C1c2cnc3cccc(n23)CN1CC1CCN(C(=O)C(F)(F)F)CC1'],['Cl.Cl.O=C1c2cnc3cccc(n23)CN1CC1CCNCC1']
26,"
Please design a two-step chemical reaction scheme to synthesize CC(=O)NCc1ccccc1N1CCNCC1.Cl starting from CC(C)(C)OC(=O)N1CCN(c2ccccc2CN)CC1.
The reaction consists of two sequential steps: in the first step, CC(C)(C)OC(=O)N1CCN(c2ccccc2CN)CC1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CC(=O)NCc1ccccc1N1CCNCC1.Cl.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CC(=O)NCc1ccccc1N1CCNCC1.Cl starting from CC(C)(C)OC(=O)N1CCN(c2ccccc2CN)CC1.
The reaction consists of two sequential steps: in the first step, CC(C)(C)OC(=O)N1CCN(c2ccccc2CN)CC1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CC(=O)NCc1ccccc1N1CCNCC1.Cl.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CC(=O)NCc1ccccc1N1CCNCC1.Cl starting from CC(C)(C)OC(=O)N1CCN(c2ccccc2CN)CC1.
The reaction consists of two sequential steps: in the first step, CC(C)(C)OC(=O)N1CCN(c2ccccc2CN)CC1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CC(=O)NCc1ccccc1N1CCNCC1.Cl.
Please provide a possible SMILES representation of the intermediate product x.",['CC(=O)OC(C)=O.CC(C)(C)OC(=O)N1CCN(c2ccccc2CN)CC1>CN(C)c1ccncc1.ClCCl.O.CO.c1ccncc1.O=C([O-])O.[Na+]>CC(=O)NCc1ccccc1N1CCN(C(=O)OC(C)(C)C)CC1'],['Cl.CC(=O)NCc1ccccc1N1CCN(C(=O)OC(C)(C)C)CC1>CO>CC(=O)NCc1ccccc1N1CCNCC1.Cl'],['CC(=O)NCc1ccccc1N1CCN(C(=O)OC(C)(C)C)CC1']
27,"
Please design a two-step chemical reaction scheme to synthesize Cn1nc(Cl)cc(C=O)c1=O starting from OB(O)C=Cc1ccccc1.
The reaction consists of two sequential steps: in the first step, OB(O)C=Cc1ccccc1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product Cn1nc(Cl)cc(C=O)c1=O.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize Cn1nc(Cl)cc(C=O)c1=O starting from OB(O)C=Cc1ccccc1.
The reaction consists of two sequential steps: in the first step, OB(O)C=Cc1ccccc1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product Cn1nc(Cl)cc(C=O)c1=O.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize Cn1nc(Cl)cc(C=O)c1=O starting from OB(O)C=Cc1ccccc1.
The reaction consists of two sequential steps: in the first step, OB(O)C=Cc1ccccc1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product Cn1nc(Cl)cc(C=O)c1=O.
Please provide a possible SMILES representation of the intermediate product x.",['Cn1nc(Cl)cc(Br)c1=O.OB(O)C=Cc1ccccc1>C1COCCO1.Cl[Pd](Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.O=P([O-])([O-])[O-].[K+].[K+].[K+]>Cn1nc(Cl)cc(C=Cc2ccccc2)c1=O'],['Cn1nc(Cl)cc(C=Cc2ccccc2)c1=O.[Na+].[O-][I+3]([O-])([O-])[O-]>C1COCCO1.O.O=[Os](=O)(=O)=O.Cc1cccc(C)n1>Cn1nc(Cl)cc(C=O)c1=O'],['Cn1nc(Cl)cc(C=Cc2ccccc2)c1=O']
28,"
Please design a two-step chemical reaction scheme to synthesize CC(C)S(=O)(=O)C[C@@H]1CC(=O)CC[C@@H]1NC(=O)OCc1ccccc1 starting from CC(C)SC[C@@H]1CC2(CC[C@@H]1NC(=O)OCc1ccccc1)OCCO2.
The reaction consists of two sequential steps: in the first step, CC(C)SC[C@@H]1CC2(CC[C@@H]1NC(=O)OCc1ccccc1)OCCO2 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CC(C)S(=O)(=O)C[C@@H]1CC(=O)CC[C@@H]1NC(=O)OCc1ccccc1.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CC(C)S(=O)(=O)C[C@@H]1CC(=O)CC[C@@H]1NC(=O)OCc1ccccc1 starting from CC(C)SC[C@@H]1CC2(CC[C@@H]1NC(=O)OCc1ccccc1)OCCO2.
The reaction consists of two sequential steps: in the first step, CC(C)SC[C@@H]1CC2(CC[C@@H]1NC(=O)OCc1ccccc1)OCCO2 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CC(C)S(=O)(=O)C[C@@H]1CC(=O)CC[C@@H]1NC(=O)OCc1ccccc1.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CC(C)S(=O)(=O)C[C@@H]1CC(=O)CC[C@@H]1NC(=O)OCc1ccccc1 starting from CC(C)SC[C@@H]1CC2(CC[C@@H]1NC(=O)OCc1ccccc1)OCCO2.
The reaction consists of two sequential steps: in the first step, CC(C)SC[C@@H]1CC2(CC[C@@H]1NC(=O)OCc1ccccc1)OCCO2 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CC(C)S(=O)(=O)C[C@@H]1CC(=O)CC[C@@H]1NC(=O)OCc1ccccc1.
Please provide a possible SMILES representation of the intermediate product x.",['CC(C)SC[C@@H]1CC2(CC[C@@H]1NC(=O)OCc1ccccc1)OCCO2.O=S([O-])OO.[K+]>O.CC(C)O>CC(C)S(=O)(=O)C[C@@H]1CC2(CC[C@@H]1NC(=O)OCc1ccccc1)OCCO2'],['CC(C)S(=O)(=O)C[C@@H]1CC2(CC[C@@H]1NC(=O)OCc1ccccc1)OCCO2>CC(C)=O.Cl>CC(C)S(=O)(=O)C[C@@H]1CC(=O)CC[C@@H]1NC(=O)OCc1ccccc1'],['CC(C)S(=O)(=O)C[C@@H]1CC2(CC[C@@H]1NC(=O)OCc1ccccc1)OCCO2']
29,"
Please design a two-step chemical reaction scheme to synthesize CC(=O)Nc1cc(C(=O)O)cc(C)n1 starting from COC(=O)c1cc(C)nc(Cl)c1.
The reaction consists of two sequential steps: in the first step, COC(=O)c1cc(C)nc(Cl)c1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CC(=O)Nc1cc(C(=O)O)cc(C)n1.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CC(=O)Nc1cc(C(=O)O)cc(C)n1 starting from COC(=O)c1cc(C)nc(Cl)c1.
The reaction consists of two sequential steps: in the first step, COC(=O)c1cc(C)nc(Cl)c1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CC(=O)Nc1cc(C(=O)O)cc(C)n1.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CC(=O)Nc1cc(C(=O)O)cc(C)n1 starting from COC(=O)c1cc(C)nc(Cl)c1.
The reaction consists of two sequential steps: in the first step, COC(=O)c1cc(C)nc(Cl)c1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CC(=O)Nc1cc(C(=O)O)cc(C)n1.
Please provide a possible SMILES representation of the intermediate product x.",['COC(=O)c1cc(C)nc(Cl)c1.CC(N)=O>O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[Pd].[Pd].CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21.C1COCCO1.O=P([O-])([O-])[O-].[K+].[K+].[K+]>COC(=O)c1cc(C)nc(NC(C)=O)c1'],['COC(=O)c1cc(C)nc(NC(C)=O)c1>C1CCOC1.[Na+].[OH-].Cl>CC(=O)Nc1cc(C(=O)O)cc(C)n1'],['COC(=O)c1cc(C)nc(NC(C)=O)c1']
30,"
Please design a two-step chemical reaction scheme to synthesize COC(=O)C(=CNC1CC1)C(=O)c1cc(F)c(Cl)cc1Cl starting from O=C(Cl)c1cc(F)c(Cl)cc1Cl.
The reaction consists of two sequential steps: in the first step, O=C(Cl)c1cc(F)c(Cl)cc1Cl undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product COC(=O)C(=CNC1CC1)C(=O)c1cc(F)c(Cl)cc1Cl.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize COC(=O)C(=CNC1CC1)C(=O)c1cc(F)c(Cl)cc1Cl starting from O=C(Cl)c1cc(F)c(Cl)cc1Cl.
The reaction consists of two sequential steps: in the first step, O=C(Cl)c1cc(F)c(Cl)cc1Cl undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product COC(=O)C(=CNC1CC1)C(=O)c1cc(F)c(Cl)cc1Cl.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize COC(=O)C(=CNC1CC1)C(=O)c1cc(F)c(Cl)cc1Cl starting from O=C(Cl)c1cc(F)c(Cl)cc1Cl.
The reaction consists of two sequential steps: in the first step, O=C(Cl)c1cc(F)c(Cl)cc1Cl undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product COC(=O)C(=CNC1CC1)C(=O)c1cc(F)c(Cl)cc1Cl.
Please provide a possible SMILES representation of the intermediate product x.",['COC(=O)C=CN1CCCC1.O=C(Cl)c1cc(F)c(Cl)cc1Cl>C1COCCO1.CCN(CC)CC>COC(=O)C(=CN1CCCC1)C(=O)c1cc(F)c(Cl)cc1Cl'],['COC(=O)C(=CN1CCCC1)C(=O)c1cc(F)c(Cl)cc1Cl.NC1CC1>Cc1ccccc1>COC(=O)C(=CNC1CC1)C(=O)c1cc(F)c(Cl)cc1Cl'],['COC(=O)C(=CN1CCCC1)C(=O)c1cc(F)c(Cl)cc1Cl']
31,"
Please design a two-step chemical reaction scheme to synthesize CC(C)OC(=O)N1CCC(n2ncc(COc3ccc(-c4nnn(CCO[Si](C)(C)C)n4)cc3F)c2C#N)CC1 starting from C[Si](C)(C)OCCn1nnc(-c2ccc(OCc3ccccc3)c(F)c2)n1.
The reaction consists of two sequential steps: in the first step, C[Si](C)(C)OCCn1nnc(-c2ccc(OCc3ccccc3)c(F)c2)n1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CC(C)OC(=O)N1CCC(n2ncc(COc3ccc(-c4nnn(CCO[Si](C)(C)C)n4)cc3F)c2C#N)CC1.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CC(C)OC(=O)N1CCC(n2ncc(COc3ccc(-c4nnn(CCO[Si](C)(C)C)n4)cc3F)c2C#N)CC1 starting from C[Si](C)(C)OCCn1nnc(-c2ccc(OCc3ccccc3)c(F)c2)n1.
The reaction consists of two sequential steps: in the first step, C[Si](C)(C)OCCn1nnc(-c2ccc(OCc3ccccc3)c(F)c2)n1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CC(C)OC(=O)N1CCC(n2ncc(COc3ccc(-c4nnn(CCO[Si](C)(C)C)n4)cc3F)c2C#N)CC1.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CC(C)OC(=O)N1CCC(n2ncc(COc3ccc(-c4nnn(CCO[Si](C)(C)C)n4)cc3F)c2C#N)CC1 starting from C[Si](C)(C)OCCn1nnc(-c2ccc(OCc3ccccc3)c(F)c2)n1.
The reaction consists of two sequential steps: in the first step, C[Si](C)(C)OCCn1nnc(-c2ccc(OCc3ccccc3)c(F)c2)n1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CC(C)OC(=O)N1CCC(n2ncc(COc3ccc(-c4nnn(CCO[Si](C)(C)C)n4)cc3F)c2C#N)CC1.
Please provide a possible SMILES representation of the intermediate product x.",['C[Si](C)(C)OCCn1nnc(-c2ccc(OCc3ccccc3)c(F)c2)n1>CCO.C1CCOC1.[Pd].O=CO>C[Si](C)(C)OCCn1nnc(-c2ccc(O)c(F)c2)n1'],['CC(C)OC(=O)N1CCC(n2ncc(CO)c2C#N)CC1.C[Si](C)(C)OCCn1nnc(-c2ccc(O)c(F)c2)n1>C1COCCO1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.CCOC(=O)N=NC(=O)OCC>CC(C)OC(=O)N1CCC(n2ncc(COc3ccc(-c4nnn(CCO[Si](C)(C)C)n4)cc3F)c2C#N)CC1'],['C[Si](C)(C)OCCn1nnc(-c2ccc(O)c(F)c2)n1']
32,"
Please design a two-step chemical reaction scheme to synthesize Cc1ccc(C(=O)OC2CCN(Cc3ccccc3Cl)CC2)cc1 starting from OC1CCNCC1.
The reaction consists of two sequential steps: in the first step, OC1CCNCC1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product Cc1ccc(C(=O)OC2CCN(Cc3ccccc3Cl)CC2)cc1.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize Cc1ccc(C(=O)OC2CCN(Cc3ccccc3Cl)CC2)cc1 starting from OC1CCNCC1.
The reaction consists of two sequential steps: in the first step, OC1CCNCC1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product Cc1ccc(C(=O)OC2CCN(Cc3ccccc3Cl)CC2)cc1.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize Cc1ccc(C(=O)OC2CCN(Cc3ccccc3Cl)CC2)cc1 starting from OC1CCNCC1.
The reaction consists of two sequential steps: in the first step, OC1CCNCC1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product Cc1ccc(C(=O)OC2CCN(Cc3ccccc3Cl)CC2)cc1.
Please provide a possible SMILES representation of the intermediate product x.",['OC1CCNCC1.Clc1ccccc1CBr>CN(C)C=O.CCN(CC)CC>OC1CCN(Cc2ccccc2Cl)CC1'],['OC1CCN(Cc2ccccc2Cl)CC1.Cc1ccc(C(=O)Cl)cc1>Cc1ccccc1.CCN(CC)CC>Cc1ccc(C(=O)OC2CCN(Cc3ccccc3Cl)CC2)cc1'],['OC1CCN(Cc2ccccc2Cl)CC1']
33,"
Please design a two-step chemical reaction scheme to synthesize CC(C)(C)[Si](C)(C)OCCCCCN1C(=O)C(=O)c2c(Br)cc(I)cc21 starting from CC(C)(C)[Si](C)(C)OCCCCCO.
The reaction consists of two sequential steps: in the first step, CC(C)(C)[Si](C)(C)OCCCCCO undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CC(C)(C)[Si](C)(C)OCCCCCN1C(=O)C(=O)c2c(Br)cc(I)cc21.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CC(C)(C)[Si](C)(C)OCCCCCN1C(=O)C(=O)c2c(Br)cc(I)cc21 starting from CC(C)(C)[Si](C)(C)OCCCCCO.
The reaction consists of two sequential steps: in the first step, CC(C)(C)[Si](C)(C)OCCCCCO undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CC(C)(C)[Si](C)(C)OCCCCCN1C(=O)C(=O)c2c(Br)cc(I)cc21.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CC(C)(C)[Si](C)(C)OCCCCCN1C(=O)C(=O)c2c(Br)cc(I)cc21 starting from CC(C)(C)[Si](C)(C)OCCCCCO.
The reaction consists of two sequential steps: in the first step, CC(C)(C)[Si](C)(C)OCCCCCO undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CC(C)(C)[Si](C)(C)OCCCCCN1C(=O)C(=O)c2c(Br)cc(I)cc21.
Please provide a possible SMILES representation of the intermediate product x.",['II.CC(C)(C)[Si](C)(C)OCCCCCO>CC#N.Cc1ccccc1.c1c[nH]cn1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.O=S([O-])[O-].[Na+].[Na+]>CC(C)(C)[Si](C)(C)OCCCCCI'],['O=C1Nc2cc(I)cc(Br)c2C1=O.CC(C)(C)[Si](C)(C)OCCCCCI>O.[H-].[Na+].O=S(=O)([O-])O.[K+]>CC(C)(C)[Si](C)(C)OCCCCCN1C(=O)C(=O)c2c(Br)cc(I)cc21'],['CC(C)(C)[Si](C)(C)OCCCCCI']
34,"
Please design a two-step chemical reaction scheme to synthesize NC(=O)c1ccc2c3c1O[C@H]1C(=O)CC[C@H]4[C@@H](C2)N(CC2CCC2)CC[C@]314 starting from N#Cc1ccc2c3c1O[C@H]1C4(CC[C@H]5[C@@H](C2)N(CC2CCC2)CC[C@@]351)OCCO4.
The reaction consists of two sequential steps: in the first step, N#Cc1ccc2c3c1O[C@H]1C4(CC[C@H]5[C@@H](C2)N(CC2CCC2)CC[C@@]351)OCCO4 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product NC(=O)c1ccc2c3c1O[C@H]1C(=O)CC[C@H]4[C@@H](C2)N(CC2CCC2)CC[C@]314.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize NC(=O)c1ccc2c3c1O[C@H]1C(=O)CC[C@H]4[C@@H](C2)N(CC2CCC2)CC[C@]314 starting from N#Cc1ccc2c3c1O[C@H]1C4(CC[C@H]5[C@@H](C2)N(CC2CCC2)CC[C@@]351)OCCO4.
The reaction consists of two sequential steps: in the first step, N#Cc1ccc2c3c1O[C@H]1C4(CC[C@H]5[C@@H](C2)N(CC2CCC2)CC[C@@]351)OCCO4 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product NC(=O)c1ccc2c3c1O[C@H]1C(=O)CC[C@H]4[C@@H](C2)N(CC2CCC2)CC[C@]314.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize NC(=O)c1ccc2c3c1O[C@H]1C(=O)CC[C@H]4[C@@H](C2)N(CC2CCC2)CC[C@]314 starting from N#Cc1ccc2c3c1O[C@H]1C4(CC[C@H]5[C@@H](C2)N(CC2CCC2)CC[C@@]351)OCCO4.
The reaction consists of two sequential steps: in the first step, N#Cc1ccc2c3c1O[C@H]1C4(CC[C@H]5[C@@H](C2)N(CC2CCC2)CC[C@@]351)OCCO4 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product NC(=O)c1ccc2c3c1O[C@H]1C(=O)CC[C@H]4[C@@H](C2)N(CC2CCC2)CC[C@]314.
Please provide a possible SMILES representation of the intermediate product x.",['N#Cc1ccc2c3c1O[C@H]1C4(CC[C@H]5[C@@H](C2)N(CC2CCC2)CC[C@@]351)OCCO4>Cl>N#Cc1ccc2c3c1O[C@H]1C(=O)CC[C@H]4[C@@H](C2)N(CC2CCC2)CC[C@]314'],['N#Cc1ccc2c3c1O[C@H]1C(=O)CC[C@H]4[C@@H](C2)N(CC2CCC2)CC[C@]314.[K+].[OH-]>CC(C)(C)O>NC(=O)c1ccc2c3c1O[C@H]1C(=O)CC[C@H]4[C@@H](C2)N(CC2CCC2)CC[C@]314'],['N#Cc1ccc2c3c1O[C@H]1C(=O)CC[C@H]4[C@@H](C2)N(CC2CCC2)CC[C@]314']
35,"
Please design a two-step chemical reaction scheme to synthesize COCCOc1ccc(Nc2nc(Nc3cnn(C4CCN(C)CC4)c3)ncc2[N+](=O)[O-])cc1 starting from CC(C)(C)OC(=O)N1CCC(n2cc([N+](=O)[O-])cn2)CC1.
The reaction consists of two sequential steps: in the first step, CC(C)(C)OC(=O)N1CCC(n2cc([N+](=O)[O-])cn2)CC1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product COCCOc1ccc(Nc2nc(Nc3cnn(C4CCN(C)CC4)c3)ncc2[N+](=O)[O-])cc1.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize COCCOc1ccc(Nc2nc(Nc3cnn(C4CCN(C)CC4)c3)ncc2[N+](=O)[O-])cc1 starting from CC(C)(C)OC(=O)N1CCC(n2cc([N+](=O)[O-])cn2)CC1.
The reaction consists of two sequential steps: in the first step, CC(C)(C)OC(=O)N1CCC(n2cc([N+](=O)[O-])cn2)CC1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product COCCOc1ccc(Nc2nc(Nc3cnn(C4CCN(C)CC4)c3)ncc2[N+](=O)[O-])cc1.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize COCCOc1ccc(Nc2nc(Nc3cnn(C4CCN(C)CC4)c3)ncc2[N+](=O)[O-])cc1 starting from CC(C)(C)OC(=O)N1CCC(n2cc([N+](=O)[O-])cn2)CC1.
The reaction consists of two sequential steps: in the first step, CC(C)(C)OC(=O)N1CCC(n2cc([N+](=O)[O-])cn2)CC1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product COCCOc1ccc(Nc2nc(Nc3cnn(C4CCN(C)CC4)c3)ncc2[N+](=O)[O-])cc1.
Please provide a possible SMILES representation of the intermediate product x.",['CC(C)(C)OC(=O)N1CCC(n2cc([N+](=O)[O-])cn2)CC1>C1CCOC1.[Al+3].[H-].[H-].[H-].[H-].[Li+]>CN1CCC(n2cc(N)cn2)CC1'],['COCCOc1ccc(Nc2nc(Cl)ncc2[N+](=O)[O-])cc1.CN1CCC(n2cc(N)cn2)CC1>C1COCCO1.CCN(C(C)C)C(C)C>COCCOc1ccc(Nc2nc(Nc3cnn(C4CCN(C)CC4)c3)ncc2[N+](=O)[O-])cc1'],['CN1CCC(n2cc(N)cn2)CC1']
36,"
Please design a two-step chemical reaction scheme to synthesize COC(=O)c1ccc2nc(-c3ccc4[nH]ccc4c3)c(N3CCCCC3)nc2c1 starting from COC(=O)c1ccc2[nH]c(=O)c(N3CCCCC3)nc2c1.
The reaction consists of two sequential steps: in the first step, COC(=O)c1ccc2[nH]c(=O)c(N3CCCCC3)nc2c1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product COC(=O)c1ccc2nc(-c3ccc4[nH]ccc4c3)c(N3CCCCC3)nc2c1.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize COC(=O)c1ccc2nc(-c3ccc4[nH]ccc4c3)c(N3CCCCC3)nc2c1 starting from COC(=O)c1ccc2[nH]c(=O)c(N3CCCCC3)nc2c1.
The reaction consists of two sequential steps: in the first step, COC(=O)c1ccc2[nH]c(=O)c(N3CCCCC3)nc2c1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product COC(=O)c1ccc2nc(-c3ccc4[nH]ccc4c3)c(N3CCCCC3)nc2c1.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize COC(=O)c1ccc2nc(-c3ccc4[nH]ccc4c3)c(N3CCCCC3)nc2c1 starting from COC(=O)c1ccc2[nH]c(=O)c(N3CCCCC3)nc2c1.
The reaction consists of two sequential steps: in the first step, COC(=O)c1ccc2[nH]c(=O)c(N3CCCCC3)nc2c1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product COC(=O)c1ccc2nc(-c3ccc4[nH]ccc4c3)c(N3CCCCC3)nc2c1.
Please provide a possible SMILES representation of the intermediate product x.",['COC(=O)c1ccc2[nH]c(=O)c(N3CCCCC3)nc2c1.O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F>ClCCl.c1ccncc1>COC(=O)c1ccc2nc(OS(=O)(=O)C(F)(F)F)c(N3CCCCC3)nc2c1'],['COC(=O)c1ccc2nc(OS(=O)(=O)C(F)(F)F)c(N3CCCCC3)nc2c1.OB(O)c1ccc2[nH]ccc2c1>C1COCCO1.c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.O=P([O-])([O-])[O-].[K+].[K+].[K+].O>COC(=O)c1ccc2nc(-c3ccc4[nH]ccc4c3)c(N3CCCCC3)nc2c1'],['COC(=O)c1ccc2nc(OS(=O)(=O)C(F)(F)F)c(N3CCCCC3)nc2c1']
37,"
Please design a two-step chemical reaction scheme to synthesize CC1NCCc2c(Cl)cccc21 starting from CC(=O)NCCc1ccccc1Cl.
The reaction consists of two sequential steps: in the first step, CC(=O)NCCc1ccccc1Cl undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CC1NCCc2c(Cl)cccc21.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CC1NCCc2c(Cl)cccc21 starting from CC(=O)NCCc1ccccc1Cl.
The reaction consists of two sequential steps: in the first step, CC(=O)NCCc1ccccc1Cl undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CC1NCCc2c(Cl)cccc21.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CC1NCCc2c(Cl)cccc21 starting from CC(=O)NCCc1ccccc1Cl.
The reaction consists of two sequential steps: in the first step, CC(=O)NCCc1ccccc1Cl undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CC1NCCc2c(Cl)cccc21.
Please provide a possible SMILES representation of the intermediate product x.",['CC(=O)NCCc1ccccc1Cl>O=P12OP3(=O)OP(=O)(O1)OP(=O)(O2)O3>CC1=NCCc2c(Cl)cccc21'],['CC1=NCCc2c(Cl)cccc21>CC(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>CC1NCCc2c(Cl)cccc21'],['CC1=NCCc2c(Cl)cccc21']
38,"
Please design a two-step chemical reaction scheme to synthesize N#Cc1cc[nH]c1-c1cc(C(F)(F)F)ccc1Cl starting from CCOC(CN)OCC.
The reaction consists of two sequential steps: in the first step, CCOC(CN)OCC undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product N#Cc1cc[nH]c1-c1cc(C(F)(F)F)ccc1Cl.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize N#Cc1cc[nH]c1-c1cc(C(F)(F)F)ccc1Cl starting from CCOC(CN)OCC.
The reaction consists of two sequential steps: in the first step, CCOC(CN)OCC undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product N#Cc1cc[nH]c1-c1cc(C(F)(F)F)ccc1Cl.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize N#Cc1cc[nH]c1-c1cc(C(F)(F)F)ccc1Cl starting from CCOC(CN)OCC.
The reaction consists of two sequential steps: in the first step, CCOC(CN)OCC undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product N#Cc1cc[nH]c1-c1cc(C(F)(F)F)ccc1Cl.
Please provide a possible SMILES representation of the intermediate product x.",['N#CCC(=O)c1cc(C(F)(F)F)ccc1Cl.CCOC(CN)OCC>Cc1ccccc1>CCOC(CNC(=CC#N)c1cc(C(F)(F)F)ccc1Cl)OCC'],['CCOC(CNC(=CC#N)c1cc(C(F)(F)F)ccc1Cl)OCC>O=C(O)C(F)(F)F>N#Cc1cc[nH]c1-c1cc(C(F)(F)F)ccc1Cl'],['CCOC(CNC(=CC#N)c1cc(C(F)(F)F)ccc1Cl)OCC']
39,"
Please design a two-step chemical reaction scheme to synthesize Cc1ccccc1NC1=NC(=O)C2(CCC2)S1 starting from N#C[S-].[NH4+].
The reaction consists of two sequential steps: in the first step, N#C[S-].[NH4+] undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product Cc1ccccc1NC1=NC(=O)C2(CCC2)S1.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize Cc1ccccc1NC1=NC(=O)C2(CCC2)S1 starting from N#C[S-].[NH4+].
The reaction consists of two sequential steps: in the first step, N#C[S-].[NH4+] undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product Cc1ccccc1NC1=NC(=O)C2(CCC2)S1.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize Cc1ccccc1NC1=NC(=O)C2(CCC2)S1 starting from N#C[S-].[NH4+].
The reaction consists of two sequential steps: in the first step, N#C[S-].[NH4+] undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product Cc1ccccc1NC1=NC(=O)C2(CCC2)S1.
Please provide a possible SMILES representation of the intermediate product x.",['Cc1ccccc1N.N#C[S-].[NH4+]>Cc1ccccc1Cl.Cl>Cc1ccccc1NC(N)=S'],['Cc1ccccc1NC(N)=S.CCOC(=O)C1(Br)CCC1>>Cc1ccccc1NC1=NC(=O)C2(CCC2)S1'],['Cc1ccccc1NC(N)=S']
40,"
Please design a two-step chemical reaction scheme to synthesize O=C(O)C(S)c1ccccc1 starting from O=C(O)C(Br)c1ccccc1.
The reaction consists of two sequential steps: in the first step, O=C(O)C(Br)c1ccccc1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product O=C(O)C(S)c1ccccc1.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize O=C(O)C(S)c1ccccc1 starting from O=C(O)C(Br)c1ccccc1.
The reaction consists of two sequential steps: in the first step, O=C(O)C(Br)c1ccccc1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product O=C(O)C(S)c1ccccc1.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize O=C(O)C(S)c1ccccc1 starting from O=C(O)C(Br)c1ccccc1.
The reaction consists of two sequential steps: in the first step, O=C(O)C(Br)c1ccccc1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product O=C(O)C(S)c1ccccc1.
Please provide a possible SMILES representation of the intermediate product x.",['O=C(O)C(Br)c1ccccc1.NC(N)=S>CCO>N=C1NC(=O)C(c2ccccc2)S1'],['N=C1NC(=O)C(c2ccccc2)S1.[Ba+2].[OH-].[OH-]>CCO>O=C(O)C(S)c1ccccc1'],['N=C1NC(=O)C(c2ccccc2)S1']
41,"
Please design a two-step chemical reaction scheme to synthesize CCCc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 starting from CCCc1ccc(N)cc1.
The reaction consists of two sequential steps: in the first step, CCCc1ccc(N)cc1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CCCc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CCCc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 starting from CCCc1ccc(N)cc1.
The reaction consists of two sequential steps: in the first step, CCCc1ccc(N)cc1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CCCc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CCCc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 starting from CCCc1ccc(N)cc1.
The reaction consists of two sequential steps: in the first step, CCCc1ccc(N)cc1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CCCc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1.
Please provide a possible SMILES representation of the intermediate product x.",['CN(C)c1ccc(C=O)cc1.CCCc1ccc(N)cc1>>CCCc1ccc(NCc2ccc(N(C)C)cc2)cc1'],['CCCc1ccc(NCc2ccc(N(C)C)cc2)cc1.CC(C)c1cccc(C(C)C)c1N=C=O>>CCCc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1'],['CCCc1ccc(NCc2ccc(N(C)C)cc2)cc1']
42,"
Please design a two-step chemical reaction scheme to synthesize CC(=O)Nc1cccc2c1CN(c1ccc3c(ccn3C)c1)C2=O starting from Cn1ccc2cc(N3Cc4c(cccc4[N+](=O)[O-])C3=O)ccc21.
The reaction consists of two sequential steps: in the first step, Cn1ccc2cc(N3Cc4c(cccc4[N+](=O)[O-])C3=O)ccc21 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CC(=O)Nc1cccc2c1CN(c1ccc3c(ccn3C)c1)C2=O.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CC(=O)Nc1cccc2c1CN(c1ccc3c(ccn3C)c1)C2=O starting from Cn1ccc2cc(N3Cc4c(cccc4[N+](=O)[O-])C3=O)ccc21.
The reaction consists of two sequential steps: in the first step, Cn1ccc2cc(N3Cc4c(cccc4[N+](=O)[O-])C3=O)ccc21 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CC(=O)Nc1cccc2c1CN(c1ccc3c(ccn3C)c1)C2=O.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CC(=O)Nc1cccc2c1CN(c1ccc3c(ccn3C)c1)C2=O starting from Cn1ccc2cc(N3Cc4c(cccc4[N+](=O)[O-])C3=O)ccc21.
The reaction consists of two sequential steps: in the first step, Cn1ccc2cc(N3Cc4c(cccc4[N+](=O)[O-])C3=O)ccc21 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CC(=O)Nc1cccc2c1CN(c1ccc3c(ccn3C)c1)C2=O.
Please provide a possible SMILES representation of the intermediate product x.",['Cn1ccc2cc(N3Cc4c(cccc4[N+](=O)[O-])C3=O)ccc21>CCO.C1CCOC1.O=[Pt]=O>Cn1ccc2cc(N3Cc4c(N)cccc4C3=O)ccc21'],['Cn1ccc2cc(N3Cc4c(N)cccc4C3=O)ccc21.CC(=O)Cl>C1CCOC1.CCN(CC)CC>CC(=O)Nc1cccc2c1CN(c1ccc3c(ccn3C)c1)C2=O'],['Cn1ccc2cc(N3Cc4c(N)cccc4C3=O)ccc21']
43,"
Please design a two-step chemical reaction scheme to synthesize CC1(C)OCC(=S)N[C@](C)(c2cc(NC3CCCc4cc(C#N)cnc43)ccc2F)C1(F)F starting from N#Cc1cnc2c(c1)CCCC2O.
The reaction consists of two sequential steps: in the first step, N#Cc1cnc2c(c1)CCCC2O undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CC1(C)OCC(=S)N[C@](C)(c2cc(NC3CCCc4cc(C#N)cnc43)ccc2F)C1(F)F.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CC1(C)OCC(=S)N[C@](C)(c2cc(NC3CCCc4cc(C#N)cnc43)ccc2F)C1(F)F starting from N#Cc1cnc2c(c1)CCCC2O.
The reaction consists of two sequential steps: in the first step, N#Cc1cnc2c(c1)CCCC2O undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CC1(C)OCC(=S)N[C@](C)(c2cc(NC3CCCc4cc(C#N)cnc43)ccc2F)C1(F)F.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CC1(C)OCC(=S)N[C@](C)(c2cc(NC3CCCc4cc(C#N)cnc43)ccc2F)C1(F)F starting from N#Cc1cnc2c(c1)CCCC2O.
The reaction consists of two sequential steps: in the first step, N#Cc1cnc2c(c1)CCCC2O undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CC1(C)OCC(=S)N[C@](C)(c2cc(NC3CCCc4cc(C#N)cnc43)ccc2F)C1(F)F.
Please provide a possible SMILES representation of the intermediate product x.",['N#Cc1cnc2c(c1)CCCC2O>CCN(CC)CC>N#Cc1cnc2c(c1)CCCC2=O'],['CC1(C)OCC(=S)N[C@](C)(c2cc(N)ccc2F)C1(F)F.N#Cc1cnc2c(c1)CCCC2=O>>CC1(C)OCC(=S)N[C@](C)(c2cc(NC3CCCc4cc(C#N)cnc43)ccc2F)C1(F)F'],['N#Cc1cnc2c(c1)CCCC2=O']
44,"
Please design a two-step chemical reaction scheme to synthesize CC(C)(C)OC(=O)Nc1cc(CCN2C(=O)c3ccccc3C2=O)cc(C(F)(F)F)c1 starting from Nc1cc(/C=C/N2C(=O)c3ccccc3C2=O)cc(C(F)(F)F)c1.
The reaction consists of two sequential steps: in the first step, Nc1cc(/C=C/N2C(=O)c3ccccc3C2=O)cc(C(F)(F)F)c1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CC(C)(C)OC(=O)Nc1cc(CCN2C(=O)c3ccccc3C2=O)cc(C(F)(F)F)c1.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CC(C)(C)OC(=O)Nc1cc(CCN2C(=O)c3ccccc3C2=O)cc(C(F)(F)F)c1 starting from Nc1cc(/C=C/N2C(=O)c3ccccc3C2=O)cc(C(F)(F)F)c1.
The reaction consists of two sequential steps: in the first step, Nc1cc(/C=C/N2C(=O)c3ccccc3C2=O)cc(C(F)(F)F)c1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CC(C)(C)OC(=O)Nc1cc(CCN2C(=O)c3ccccc3C2=O)cc(C(F)(F)F)c1.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CC(C)(C)OC(=O)Nc1cc(CCN2C(=O)c3ccccc3C2=O)cc(C(F)(F)F)c1 starting from Nc1cc(/C=C/N2C(=O)c3ccccc3C2=O)cc(C(F)(F)F)c1.
The reaction consists of two sequential steps: in the first step, Nc1cc(/C=C/N2C(=O)c3ccccc3C2=O)cc(C(F)(F)F)c1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CC(C)(C)OC(=O)Nc1cc(CCN2C(=O)c3ccccc3C2=O)cc(C(F)(F)F)c1.
Please provide a possible SMILES representation of the intermediate product x.",['Nc1cc(/C=C/N2C(=O)c3ccccc3C2=O)cc(C(F)(F)F)c1>CCO.[Pd].C1CCOC1.[H][H]>Nc1cc(CCN2C(=O)c3ccccc3C2=O)cc(C(F)(F)F)c1'],['Nc1cc(CCN2C(=O)c3ccccc3C2=O)cc(C(F)(F)F)c1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C>ClCCl.CN(C)c1ccncc1>CC(C)(C)OC(=O)Nc1cc(CCN2C(=O)c3ccccc3C2=O)cc(C(F)(F)F)c1'],['Nc1cc(CCN2C(=O)c3ccccc3C2=O)cc(C(F)(F)F)c1']
45,"
Please design a two-step chemical reaction scheme to synthesize CC(NC(=O)OC(C)(C)C)c1ncc(C(=O)O)s1 starting from C[C@H](NC(=O)OC(C)(C)C)C(N)=S.
The reaction consists of two sequential steps: in the first step, C[C@H](NC(=O)OC(C)(C)C)C(N)=S undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CC(NC(=O)OC(C)(C)C)c1ncc(C(=O)O)s1.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CC(NC(=O)OC(C)(C)C)c1ncc(C(=O)O)s1 starting from C[C@H](NC(=O)OC(C)(C)C)C(N)=S.
The reaction consists of two sequential steps: in the first step, C[C@H](NC(=O)OC(C)(C)C)C(N)=S undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CC(NC(=O)OC(C)(C)C)c1ncc(C(=O)O)s1.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CC(NC(=O)OC(C)(C)C)c1ncc(C(=O)O)s1 starting from C[C@H](NC(=O)OC(C)(C)C)C(N)=S.
The reaction consists of two sequential steps: in the first step, C[C@H](NC(=O)OC(C)(C)C)C(N)=S undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CC(NC(=O)OC(C)(C)C)c1ncc(C(=O)O)s1.
Please provide a possible SMILES representation of the intermediate product x.",['C[C@H](NC(=O)OC(C)(C)C)C(N)=S.O=CC(Cl)C=O>C1COCCO1.O=C([O-])[O-].[Mg+2]>CC(NC(=O)OC(C)(C)C)c1ncc(C=O)s1'],['CC(NC(=O)OC(C)(C)C)c1ncc(C=O)s1.O.O.O=P([O-])(O)O.[Na+]>CC(C)(C)O.O.CC=C(C)C.[Na+].[O-][Cl+][O-]>CC(NC(=O)OC(C)(C)C)c1ncc(C(=O)O)s1'],['CC(NC(=O)OC(C)(C)C)c1ncc(C=O)s1']
46,"
Please design a two-step chemical reaction scheme to synthesize COc1cc(B(O)O)c(OC)cc1OCc1ccccc1 starting from COc1cc(Br)c(O)cc1OCc1ccccc1.
The reaction consists of two sequential steps: in the first step, COc1cc(Br)c(O)cc1OCc1ccccc1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product COc1cc(B(O)O)c(OC)cc1OCc1ccccc1.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize COc1cc(B(O)O)c(OC)cc1OCc1ccccc1 starting from COc1cc(Br)c(O)cc1OCc1ccccc1.
The reaction consists of two sequential steps: in the first step, COc1cc(Br)c(O)cc1OCc1ccccc1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product COc1cc(B(O)O)c(OC)cc1OCc1ccccc1.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize COc1cc(B(O)O)c(OC)cc1OCc1ccccc1 starting from COc1cc(Br)c(O)cc1OCc1ccccc1.
The reaction consists of two sequential steps: in the first step, COc1cc(Br)c(O)cc1OCc1ccccc1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product COc1cc(B(O)O)c(OC)cc1OCc1ccccc1.
Please provide a possible SMILES representation of the intermediate product x.",['COc1cc(Br)c(O)cc1OCc1ccccc1.CI>O.[H-].[Na+]>COc1cc(OCc2ccccc2)c(OC)cc1Br'],['COc1cc(OCc2ccccc2)c(OC)cc1Br.CC(C)OB(OC(C)C)OC(C)C>>COc1cc(B(O)O)c(OC)cc1OCc1ccccc1'],['COc1cc(OCc2ccccc2)c(OC)cc1Br']
47,"
Please design a two-step chemical reaction scheme to synthesize Nc1ccccc1S(=O)(=O)Nc1cc(F)cc2cccnc12 starting from O=[N+]([O-])c1ccccc1S(=O)(=O)Cl.
The reaction consists of two sequential steps: in the first step, O=[N+]([O-])c1ccccc1S(=O)(=O)Cl undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product Nc1ccccc1S(=O)(=O)Nc1cc(F)cc2cccnc12.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize Nc1ccccc1S(=O)(=O)Nc1cc(F)cc2cccnc12 starting from O=[N+]([O-])c1ccccc1S(=O)(=O)Cl.
The reaction consists of two sequential steps: in the first step, O=[N+]([O-])c1ccccc1S(=O)(=O)Cl undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product Nc1ccccc1S(=O)(=O)Nc1cc(F)cc2cccnc12.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize Nc1ccccc1S(=O)(=O)Nc1cc(F)cc2cccnc12 starting from O=[N+]([O-])c1ccccc1S(=O)(=O)Cl.
The reaction consists of two sequential steps: in the first step, O=[N+]([O-])c1ccccc1S(=O)(=O)Cl undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product Nc1ccccc1S(=O)(=O)Nc1cc(F)cc2cccnc12.
Please provide a possible SMILES representation of the intermediate product x.",['Nc1cc(F)cc2cccnc12.O=[N+]([O-])c1ccccc1S(=O)(=O)Cl>c1ccncc1>O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cc(F)cc2cccnc12'],['O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cc(F)cc2cccnc12>Cl.CCO.Cl[Sn]Cl>Nc1ccccc1S(=O)(=O)Nc1cc(F)cc2cccnc12'],['O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cc(F)cc2cccnc12']
48,"
Please design a two-step chemical reaction scheme to synthesize CCOC(=O)/C=C(\CBr)Oc1ccccc1OCc1ccccc1 starting from CCOC(=O)C=C(C)Cl.
The reaction consists of two sequential steps: in the first step, CCOC(=O)C=C(C)Cl undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CCOC(=O)/C=C(\CBr)Oc1ccccc1OCc1ccccc1.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CCOC(=O)/C=C(\CBr)Oc1ccccc1OCc1ccccc1 starting from CCOC(=O)C=C(C)Cl.
The reaction consists of two sequential steps: in the first step, CCOC(=O)C=C(C)Cl undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CCOC(=O)/C=C(\CBr)Oc1ccccc1OCc1ccccc1.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CCOC(=O)/C=C(\CBr)Oc1ccccc1OCc1ccccc1 starting from CCOC(=O)C=C(C)Cl.
The reaction consists of two sequential steps: in the first step, CCOC(=O)C=C(C)Cl undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CCOC(=O)/C=C(\CBr)Oc1ccccc1OCc1ccccc1.
Please provide a possible SMILES representation of the intermediate product x.",['Oc1ccccc1OCc1ccccc1.CCOC(=O)C=C(C)Cl>C1CCOC1.CC(C)(C)[O-].[K+]>CCOC(=O)/C=C(\\C)Oc1ccccc1OCc1ccccc1'],['CCOC(=O)/C=C(\\C)Oc1ccccc1OCc1ccccc1.O=C1CCC(=O)N1Br>ClC(Cl)(Cl)Cl.O=C(OOC(=O)c1ccccc1)c1ccccc1>CCOC(=O)/C=C(\\CBr)Oc1ccccc1OCc1ccccc1'],['CCOC(=O)/C=C(\\C)Oc1ccccc1OCc1ccccc1']
49,"
Please design a two-step chemical reaction scheme to synthesize COc1cc(CNC(=O)c2cc(C3=NOC(c4ccccc4)C3)c(=O)n(C)n2)ccc1F starting from COc1cc(C#N)ccc1F.
The reaction consists of two sequential steps: in the first step, COc1cc(C#N)ccc1F undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product COc1cc(CNC(=O)c2cc(C3=NOC(c4ccccc4)C3)c(=O)n(C)n2)ccc1F.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize COc1cc(CNC(=O)c2cc(C3=NOC(c4ccccc4)C3)c(=O)n(C)n2)ccc1F starting from COc1cc(C#N)ccc1F.
The reaction consists of two sequential steps: in the first step, COc1cc(C#N)ccc1F undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product COc1cc(CNC(=O)c2cc(C3=NOC(c4ccccc4)C3)c(=O)n(C)n2)ccc1F.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize COc1cc(CNC(=O)c2cc(C3=NOC(c4ccccc4)C3)c(=O)n(C)n2)ccc1F starting from COc1cc(C#N)ccc1F.
The reaction consists of two sequential steps: in the first step, COc1cc(C#N)ccc1F undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product COc1cc(CNC(=O)c2cc(C3=NOC(c4ccccc4)C3)c(=O)n(C)n2)ccc1F.
Please provide a possible SMILES representation of the intermediate product x.",['COc1cc(C#N)ccc1F>[Pd].CC(=O)O.[H][H]>COc1cc(CN)ccc1F'],['Cn1nc(C(=O)O)cc(C2=NOC(c3ccccc3)C2)c1=O.COc1cc(CN)ccc1F>CN(C)C=O.CCN(C(C)C)C(C)C.CN(C)C(On1nnc2cccnc21)=[N+](C)C.F[P-](F)(F)(F)(F)F>COc1cc(CNC(=O)c2cc(C3=NOC(c4ccccc4)C3)c(=O)n(C)n2)ccc1F'],['COc1cc(CN)ccc1F']
50,"
Please design a two-step chemical reaction scheme to synthesize N#Cc1cc(CN2C(=O)C(F)(F)c3c(Br)ccc(F)c32)ccn1 starting from N#Cc1cc(CO)ccn1.
The reaction consists of two sequential steps: in the first step, N#Cc1cc(CO)ccn1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product N#Cc1cc(CN2C(=O)C(F)(F)c3c(Br)ccc(F)c32)ccn1.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize N#Cc1cc(CN2C(=O)C(F)(F)c3c(Br)ccc(F)c32)ccn1 starting from N#Cc1cc(CO)ccn1.
The reaction consists of two sequential steps: in the first step, N#Cc1cc(CO)ccn1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product N#Cc1cc(CN2C(=O)C(F)(F)c3c(Br)ccc(F)c32)ccn1.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize N#Cc1cc(CN2C(=O)C(F)(F)c3c(Br)ccc(F)c32)ccn1 starting from N#Cc1cc(CO)ccn1.
The reaction consists of two sequential steps: in the first step, N#Cc1cc(CO)ccn1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product N#Cc1cc(CN2C(=O)C(F)(F)c3c(Br)ccc(F)c32)ccn1.
Please provide a possible SMILES representation of the intermediate product x.",['BrBr.N#Cc1cc(CO)ccn1>ClCCl.c1ccc(P(c2ccccc2)c2ccccc2)cc1>N#Cc1cc(CBr)ccn1'],['O=C1Nc2c(F)ccc(Br)c2C1(F)F.N#Cc1cc(CBr)ccn1>CN(C)C=O.O=C([O-])[O-].[K+].[K+]>N#Cc1cc(CN2C(=O)C(F)(F)c3c(Br)ccc(F)c32)ccn1'],['N#Cc1cc(CBr)ccn1']
51,"
Please design a two-step chemical reaction scheme to synthesize O=CN1CC=C(c2ccc(N3C[C@H](CNc4ccon4)OC3=O)cc2F)CC1 starting from O=C1O[C@@H](CN(C(=O)OCC(Cl)(Cl)Cl)c2ccon2)CN1c1ccc(C2=CCNCC2)c(F)c1.
The reaction consists of two sequential steps: in the first step, O=C1O[C@@H](CN(C(=O)OCC(Cl)(Cl)Cl)c2ccon2)CN1c1ccc(C2=CCNCC2)c(F)c1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product O=CN1CC=C(c2ccc(N3C[C@H](CNc4ccon4)OC3=O)cc2F)CC1.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize O=CN1CC=C(c2ccc(N3C[C@H](CNc4ccon4)OC3=O)cc2F)CC1 starting from O=C1O[C@@H](CN(C(=O)OCC(Cl)(Cl)Cl)c2ccon2)CN1c1ccc(C2=CCNCC2)c(F)c1.
The reaction consists of two sequential steps: in the first step, O=C1O[C@@H](CN(C(=O)OCC(Cl)(Cl)Cl)c2ccon2)CN1c1ccc(C2=CCNCC2)c(F)c1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product O=CN1CC=C(c2ccc(N3C[C@H](CNc4ccon4)OC3=O)cc2F)CC1.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize O=CN1CC=C(c2ccc(N3C[C@H](CNc4ccon4)OC3=O)cc2F)CC1 starting from O=C1O[C@@H](CN(C(=O)OCC(Cl)(Cl)Cl)c2ccon2)CN1c1ccc(C2=CCNCC2)c(F)c1.
The reaction consists of two sequential steps: in the first step, O=C1O[C@@H](CN(C(=O)OCC(Cl)(Cl)Cl)c2ccon2)CN1c1ccc(C2=CCNCC2)c(F)c1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product O=CN1CC=C(c2ccc(N3C[C@H](CNc4ccon4)OC3=O)cc2F)CC1.
Please provide a possible SMILES representation of the intermediate product x.",['O=C1O[C@@H](CN(C(=O)OCC(Cl)(Cl)Cl)c2ccon2)CN1c1ccc(C2=CCNCC2)c(F)c1.CCOC=O>CCN(CC)CC>O=CN1CC=C(c2ccc(N3C[C@H](CN(C(=O)OCC(Cl)(Cl)Cl)c4ccon4)OC3=O)cc2F)CC1'],['O=CN1CC=C(c2ccc(N3C[C@H](CN(C(=O)OCC(Cl)(Cl)Cl)c4ccon4)OC3=O)cc2F)CC1>CC(=O)O.[Zn]>O=CN1CC=C(c2ccc(N3C[C@H](CNc4ccon4)OC3=O)cc2F)CC1'],['O=CN1CC=C(c2ccc(N3C[C@H](CN(C(=O)OCC(Cl)(Cl)Cl)c4ccon4)OC3=O)cc2F)CC1']
52,"
Please design a two-step chemical reaction scheme to synthesize CNC(=O)Cn1nc(-c2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)c2cc(OC(F)F)ccc21 starting from CNC(=O)CCl.
The reaction consists of two sequential steps: in the first step, CNC(=O)CCl undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CNC(=O)Cn1nc(-c2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)c2cc(OC(F)F)ccc21.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CNC(=O)Cn1nc(-c2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)c2cc(OC(F)F)ccc21 starting from CNC(=O)CCl.
The reaction consists of two sequential steps: in the first step, CNC(=O)CCl undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CNC(=O)Cn1nc(-c2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)c2cc(OC(F)F)ccc21.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CNC(=O)Cn1nc(-c2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)c2cc(OC(F)F)ccc21 starting from CNC(=O)CCl.
The reaction consists of two sequential steps: in the first step, CNC(=O)CCl undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CNC(=O)Cn1nc(-c2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)c2cc(OC(F)F)ccc21.
Please provide a possible SMILES representation of the intermediate product x.",['CNC(=O)CCl.CC(C)(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3n[nH]c4ccc(OC(F)F)cc34)nc12>CN(C)C=O.O=C([O-])[O-].[K+].[K+]>CNC(=O)Cn1nc(-c2cnc3c(n2)c(C(=O)NC(C)(C)C)cn3COCC[Si](C)(C)C)c2cc(OC(F)F)ccc21'],['CNC(=O)Cn1nc(-c2cnc3c(n2)c(C(=O)NC(C)(C)C)cn3COCC[Si](C)(C)C)c2cc(OC(F)F)ccc21>ClCCl.O=C(O)C(F)(F)F>CNC(=O)Cn1nc(-c2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)c2cc(OC(F)F)ccc21'],['CNC(=O)Cn1nc(-c2cnc3c(n2)c(C(=O)NC(C)(C)C)cn3COCC[Si](C)(C)C)c2cc(OC(F)F)ccc21']
53,"
Please design a two-step chemical reaction scheme to synthesize Nc1ccc(F)cc1Nc1cccnc1 starting from O=[N+]([O-])c1ccc(F)cc1F.
The reaction consists of two sequential steps: in the first step, O=[N+]([O-])c1ccc(F)cc1F undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product Nc1ccc(F)cc1Nc1cccnc1.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize Nc1ccc(F)cc1Nc1cccnc1 starting from O=[N+]([O-])c1ccc(F)cc1F.
The reaction consists of two sequential steps: in the first step, O=[N+]([O-])c1ccc(F)cc1F undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product Nc1ccc(F)cc1Nc1cccnc1.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize Nc1ccc(F)cc1Nc1cccnc1 starting from O=[N+]([O-])c1ccc(F)cc1F.
The reaction consists of two sequential steps: in the first step, O=[N+]([O-])c1ccc(F)cc1F undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product Nc1ccc(F)cc1Nc1cccnc1.
Please provide a possible SMILES representation of the intermediate product x.",['Nc1cccnc1.O=[N+]([O-])c1ccc(F)cc1F>C1CCOC1.C[Si](C)(C)[N-][Si](C)(C)C.[Li+].[Cl-].[NH4+]>O=[N+]([O-])c1ccc(F)cc1Nc1cccnc1'],['O=[N+]([O-])c1ccc(F)cc1Nc1cccnc1>CCOC(C)=O>Nc1ccc(F)cc1Nc1cccnc1'],['O=[N+]([O-])c1ccc(F)cc1Nc1cccnc1']
54,"
Please design a two-step chemical reaction scheme to synthesize O=C(NCC12CC3CC(CC(C3)C1)C2)c1cccc(O)c1Cl starting from COc1cccc(C(=O)O)c1Cl.
The reaction consists of two sequential steps: in the first step, COc1cccc(C(=O)O)c1Cl undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product O=C(NCC12CC3CC(CC(C3)C1)C2)c1cccc(O)c1Cl.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize O=C(NCC12CC3CC(CC(C3)C1)C2)c1cccc(O)c1Cl starting from COc1cccc(C(=O)O)c1Cl.
The reaction consists of two sequential steps: in the first step, COc1cccc(C(=O)O)c1Cl undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product O=C(NCC12CC3CC(CC(C3)C1)C2)c1cccc(O)c1Cl.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize O=C(NCC12CC3CC(CC(C3)C1)C2)c1cccc(O)c1Cl starting from COc1cccc(C(=O)O)c1Cl.
The reaction consists of two sequential steps: in the first step, COc1cccc(C(=O)O)c1Cl undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product O=C(NCC12CC3CC(CC(C3)C1)C2)c1cccc(O)c1Cl.
Please provide a possible SMILES representation of the intermediate product x.",['COc1cccc(C(=O)O)c1Cl>CC(=O)O.Br>O=C(O)c1cccc(O)c1Cl'],['O=C(O)c1cccc(O)c1Cl.NCC12CC3CC(CC(C3)C1)C2>On1nnc2ccccc21.C(=NC1CCCCC1)=NC1CCCCC1>O=C(NCC12CC3CC(CC(C3)C1)C2)c1cccc(O)c1Cl'],['O=C(O)c1cccc(O)c1Cl']
55,"
Please design a two-step chemical reaction scheme to synthesize Cc1c[nH]c2ncc(B3OC(C)(C)C(C)(C)O3)cc12 starting from Cc1ccc(S(=O)(=O)n2cc(C)c3cc(Br)cnc32)cc1.
The reaction consists of two sequential steps: in the first step, Cc1ccc(S(=O)(=O)n2cc(C)c3cc(Br)cnc32)cc1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product Cc1c[nH]c2ncc(B3OC(C)(C)C(C)(C)O3)cc12.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize Cc1c[nH]c2ncc(B3OC(C)(C)C(C)(C)O3)cc12 starting from Cc1ccc(S(=O)(=O)n2cc(C)c3cc(Br)cnc32)cc1.
The reaction consists of two sequential steps: in the first step, Cc1ccc(S(=O)(=O)n2cc(C)c3cc(Br)cnc32)cc1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product Cc1c[nH]c2ncc(B3OC(C)(C)C(C)(C)O3)cc12.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize Cc1c[nH]c2ncc(B3OC(C)(C)C(C)(C)O3)cc12 starting from Cc1ccc(S(=O)(=O)n2cc(C)c3cc(Br)cnc32)cc1.
The reaction consists of two sequential steps: in the first step, Cc1ccc(S(=O)(=O)n2cc(C)c3cc(Br)cnc32)cc1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product Cc1c[nH]c2ncc(B3OC(C)(C)C(C)(C)O3)cc12.
Please provide a possible SMILES representation of the intermediate product x.",['Cc1ccc(S(=O)(=O)n2cc(C)c3cc(Br)cnc32)cc1>CO.[Na+].[OH-]>Cc1c[nH]c2ncc(Br)cc12'],['Cc1c[nH]c2ncc(Br)cc12.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C>CN(C)C=O.Cl[Pd](Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.CC(=O)[O-].[K+]>Cc1c[nH]c2ncc(B3OC(C)(C)C(C)(C)O3)cc12'],['Cc1c[nH]c2ncc(Br)cc12']
56,"
Please design a two-step chemical reaction scheme to synthesize Cn1cc2c(n1)CCCN2c1cnc2c(n1)c(C(=O)NC(C)(C)C)cn2COCC[Si](C)(C)C starting from Cn1cc2c(n1)CCCN2C(=O)OC(C)(C)C.
The reaction consists of two sequential steps: in the first step, Cn1cc2c(n1)CCCN2C(=O)OC(C)(C)C undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product Cn1cc2c(n1)CCCN2c1cnc2c(n1)c(C(=O)NC(C)(C)C)cn2COCC[Si](C)(C)C.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize Cn1cc2c(n1)CCCN2c1cnc2c(n1)c(C(=O)NC(C)(C)C)cn2COCC[Si](C)(C)C starting from Cn1cc2c(n1)CCCN2C(=O)OC(C)(C)C.
The reaction consists of two sequential steps: in the first step, Cn1cc2c(n1)CCCN2C(=O)OC(C)(C)C undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product Cn1cc2c(n1)CCCN2c1cnc2c(n1)c(C(=O)NC(C)(C)C)cn2COCC[Si](C)(C)C.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize Cn1cc2c(n1)CCCN2c1cnc2c(n1)c(C(=O)NC(C)(C)C)cn2COCC[Si](C)(C)C starting from Cn1cc2c(n1)CCCN2C(=O)OC(C)(C)C.
The reaction consists of two sequential steps: in the first step, Cn1cc2c(n1)CCCN2C(=O)OC(C)(C)C undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product Cn1cc2c(n1)CCCN2c1cnc2c(n1)c(C(=O)NC(C)(C)C)cn2COCC[Si](C)(C)C.
Please provide a possible SMILES representation of the intermediate product x.",['Cn1cc2c(n1)CCCN2C(=O)OC(C)(C)C>ClCCl.O=C(O)C(F)(F)F>Cn1cc2c(n1)CCCN2'],['CC(C)(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12.Cn1cc2c(n1)CCCN2>C1COCCO1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[Pd].[Pd].CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21.O=C([O-])[O-].[Cs+].[Cs+]>Cn1cc2c(n1)CCCN2c1cnc2c(n1)c(C(=O)NC(C)(C)C)cn2COCC[Si](C)(C)C'],['Cn1cc2c(n1)CCCN2']
57,"
Please design a two-step chemical reaction scheme to synthesize CN(C)c1ccnc2nn3c(C4CCNCC4)cc(=O)[nH]c3c12.Cl starting from CN(C)c1ccnc2[nH]nc(N)c12.
The reaction consists of two sequential steps: in the first step, CN(C)c1ccnc2[nH]nc(N)c12 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CN(C)c1ccnc2nn3c(C4CCNCC4)cc(=O)[nH]c3c12.Cl.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CN(C)c1ccnc2nn3c(C4CCNCC4)cc(=O)[nH]c3c12.Cl starting from CN(C)c1ccnc2[nH]nc(N)c12.
The reaction consists of two sequential steps: in the first step, CN(C)c1ccnc2[nH]nc(N)c12 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CN(C)c1ccnc2nn3c(C4CCNCC4)cc(=O)[nH]c3c12.Cl.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CN(C)c1ccnc2nn3c(C4CCNCC4)cc(=O)[nH]c3c12.Cl starting from CN(C)c1ccnc2[nH]nc(N)c12.
The reaction consists of two sequential steps: in the first step, CN(C)c1ccnc2[nH]nc(N)c12 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CN(C)c1ccnc2nn3c(C4CCNCC4)cc(=O)[nH]c3c12.Cl.
Please provide a possible SMILES representation of the intermediate product x.",['CCOC(=O)CC(=O)C1CCN(C(=O)OC(C)(C)C)CC1.CN(C)c1ccnc2[nH]nc(N)c12>COCC(C)O.O=P([O-])([O-])[O-].[K+].[K+].[K+]>CN(C)c1ccnc2nn3c(C4CCN(C(=O)OC(C)(C)C)CC4)cc(=O)[nH]c3c12'],['CN(C)c1ccnc2nn3c(C4CCN(C(=O)OC(C)(C)C)CC4)cc(=O)[nH]c3c12.Cl>CO.C1COCCO1>CN(C)c1ccnc2nn3c(C4CCNCC4)cc(=O)[nH]c3c12.Cl'],['CN(C)c1ccnc2nn3c(C4CCN(C(=O)OC(C)(C)C)CC4)cc(=O)[nH]c3c12']
58,"
Please design a two-step chemical reaction scheme to synthesize CN(C)CCN(CCN1C(=O)CCC1=O)S(=O)(=O)c1cc(C#N)ccc1Oc1cc(Cl)cc(Cl)c1 starting from CC(Br)Br.
The reaction consists of two sequential steps: in the first step, CC(Br)Br undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CN(C)CCN(CCN1C(=O)CCC1=O)S(=O)(=O)c1cc(C#N)ccc1Oc1cc(Cl)cc(Cl)c1.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CN(C)CCN(CCN1C(=O)CCC1=O)S(=O)(=O)c1cc(C#N)ccc1Oc1cc(Cl)cc(Cl)c1 starting from CC(Br)Br.
The reaction consists of two sequential steps: in the first step, CC(Br)Br undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CN(C)CCN(CCN1C(=O)CCC1=O)S(=O)(=O)c1cc(C#N)ccc1Oc1cc(Cl)cc(Cl)c1.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CN(C)CCN(CCN1C(=O)CCC1=O)S(=O)(=O)c1cc(C#N)ccc1Oc1cc(Cl)cc(Cl)c1 starting from CC(Br)Br.
The reaction consists of two sequential steps: in the first step, CC(Br)Br undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CN(C)CCN(CCN1C(=O)CCC1=O)S(=O)(=O)c1cc(C#N)ccc1Oc1cc(Cl)cc(Cl)c1.
Please provide a possible SMILES representation of the intermediate product x.",['NC(=O)CCC(N)=O.CC(Br)Br>CCC(C)=O.O=C([O-])[O-].[K+].[K+]>O=C1CCC(=O)N1CCBr'],['CN(C)CCNS(=O)(=O)c1cc(C#N)ccc1Oc1cc(Cl)cc(Cl)c1.O=C1CCC(=O)N1CCBr>CN(C)C=O.[H-].[Na+]>CN(C)CCN(CCN1C(=O)CCC1=O)S(=O)(=O)c1cc(C#N)ccc1Oc1cc(Cl)cc(Cl)c1'],['O=C1CCC(=O)N1CCBr']
59,"
Please design a two-step chemical reaction scheme to synthesize O=C(CCN1C[C@@H](O)[C@H](Oc2ccccc2)C1)c1ccc(F)cc1 starting from CC(=O)c1ccc(F)cc1.
The reaction consists of two sequential steps: in the first step, CC(=O)c1ccc(F)cc1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product O=C(CCN1C[C@@H](O)[C@H](Oc2ccccc2)C1)c1ccc(F)cc1.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize O=C(CCN1C[C@@H](O)[C@H](Oc2ccccc2)C1)c1ccc(F)cc1 starting from CC(=O)c1ccc(F)cc1.
The reaction consists of two sequential steps: in the first step, CC(=O)c1ccc(F)cc1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product O=C(CCN1C[C@@H](O)[C@H](Oc2ccccc2)C1)c1ccc(F)cc1.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize O=C(CCN1C[C@@H](O)[C@H](Oc2ccccc2)C1)c1ccc(F)cc1 starting from CC(=O)c1ccc(F)cc1.
The reaction consists of two sequential steps: in the first step, CC(=O)c1ccc(F)cc1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product O=C(CCN1C[C@@H](O)[C@H](Oc2ccccc2)C1)c1ccc(F)cc1.
Please provide a possible SMILES representation of the intermediate product x.",['CC(=O)c1ccc(F)cc1.C=O.CNC.Cl>CC(C)O.Cl>CN(C)CCC(=O)c1ccc(F)cc1.Cl'],['OC1CNCC1Oc1ccccc1.CN(C)CCC(=O)c1ccc(F)cc1.Cl>CN(C)C=O.O=C([O-])[O-].[K+].[K+]>O=C(CCN1C[C@@H](O)[C@H](Oc2ccccc2)C1)c1ccc(F)cc1'],['CN(C)CCC(=O)c1ccc(F)cc1.Cl']
60,"
Please design a two-step chemical reaction scheme to synthesize CC(C)(C)OC(=O)N1CC(CC#N)(n2cc(-c3ccnc4[nH]ccc34)cn2)C1 starting from CC(C)(C)OC(=O)N1CC(=CC#N)C1.
The reaction consists of two sequential steps: in the first step, CC(C)(C)OC(=O)N1CC(=CC#N)C1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CC(C)(C)OC(=O)N1CC(CC#N)(n2cc(-c3ccnc4[nH]ccc34)cn2)C1.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CC(C)(C)OC(=O)N1CC(CC#N)(n2cc(-c3ccnc4[nH]ccc34)cn2)C1 starting from CC(C)(C)OC(=O)N1CC(=CC#N)C1.
The reaction consists of two sequential steps: in the first step, CC(C)(C)OC(=O)N1CC(=CC#N)C1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CC(C)(C)OC(=O)N1CC(CC#N)(n2cc(-c3ccnc4[nH]ccc34)cn2)C1.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CC(C)(C)OC(=O)N1CC(CC#N)(n2cc(-c3ccnc4[nH]ccc34)cn2)C1 starting from CC(C)(C)OC(=O)N1CC(=CC#N)C1.
The reaction consists of two sequential steps: in the first step, CC(C)(C)OC(=O)N1CC(=CC#N)C1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CC(C)(C)OC(=O)N1CC(CC#N)(n2cc(-c3ccnc4[nH]ccc34)cn2)C1.
Please provide a possible SMILES representation of the intermediate product x.",['CC1(C)OB(c2cn[nH]c2)OC1(C)C.CC(C)(C)OC(=O)N1CC(=CC#N)C1>CC#N.C1CCC2=NCCCN2CC1>CC(C)(C)OC(=O)N1CC(CC#N)(n2cc(B3OC(C)(C)C(C)(C)O3)cn2)C1'],['Brc1ccnc2[nH]ccc12.CC(C)(C)OC(=O)N1CC(CC#N)(n2cc(B3OC(C)(C)C(C)(C)O3)cn2)C1>C1COCCO1.O.c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.O=C([O-])[O-].[Na+].[Na+]>CC(C)(C)OC(=O)N1CC(CC#N)(n2cc(-c3ccnc4[nH]ccc34)cn2)C1'],['CC(C)(C)OC(=O)N1CC(CC#N)(n2cc(B3OC(C)(C)C(C)(C)O3)cn2)C1']
61,"
Please design a two-step chemical reaction scheme to synthesize C=CCC(OCC(=C)C(=O)OCC)C(F)(F)F starting from CCOC(O)C(F)(F)F.
The reaction consists of two sequential steps: in the first step, CCOC(O)C(F)(F)F undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product C=CCC(OCC(=C)C(=O)OCC)C(F)(F)F.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize C=CCC(OCC(=C)C(=O)OCC)C(F)(F)F starting from CCOC(O)C(F)(F)F.
The reaction consists of two sequential steps: in the first step, CCOC(O)C(F)(F)F undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product C=CCC(OCC(=C)C(=O)OCC)C(F)(F)F.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize C=CCC(OCC(=C)C(=O)OCC)C(F)(F)F starting from CCOC(O)C(F)(F)F.
The reaction consists of two sequential steps: in the first step, CCOC(O)C(F)(F)F undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product C=CCC(OCC(=C)C(=O)OCC)C(F)(F)F.
Please provide a possible SMILES representation of the intermediate product x.",['[In].C=CCBr.CCOC(O)C(F)(F)F>O>C=CCC(O)C(F)(F)F'],['C=CCC(O)C(F)(F)F.C=C(CBr)C(=O)OCC>CN(C)C=O.[H-].[Na+]>C=CCC(OCC(=C)C(=O)OCC)C(F)(F)F'],['C=CCC(O)C(F)(F)F']
62,"
Please design a two-step chemical reaction scheme to synthesize CC1(C)Cc2cc(C3=CCC(=O)CC3)ccc2O1 starting from CC1(C)Cc2ccccc2O1.
The reaction consists of two sequential steps: in the first step, CC1(C)Cc2ccccc2O1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CC1(C)Cc2cc(C3=CCC(=O)CC3)ccc2O1.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CC1(C)Cc2cc(C3=CCC(=O)CC3)ccc2O1 starting from CC1(C)Cc2ccccc2O1.
The reaction consists of two sequential steps: in the first step, CC1(C)Cc2ccccc2O1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CC1(C)Cc2cc(C3=CCC(=O)CC3)ccc2O1.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CC1(C)Cc2cc(C3=CCC(=O)CC3)ccc2O1 starting from CC1(C)Cc2ccccc2O1.
The reaction consists of two sequential steps: in the first step, CC1(C)Cc2ccccc2O1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CC1(C)Cc2cc(C3=CCC(=O)CC3)ccc2O1.
Please provide a possible SMILES representation of the intermediate product x.",['CC1(C)Cc2ccccc2O1.O=C1CCC(=O)N1Br>CC(Cl)Cl.CCOCC>CC1(C)Cc2cc(Br)ccc2O1'],['CC1(C)Cc2cc(Br)ccc2O1.[Mg].O=C1CCC2(CC1)OCCO2>C1CCOC1>CC1(C)Cc2cc(C3=CCC(=O)CC3)ccc2O1'],['CC1(C)Cc2cc(Br)ccc2O1']
63,"
Please design a two-step chemical reaction scheme to synthesize CC(C)(C)OC(=O)C1CCCC(C(=O)O)C1 starting from Nc1cccc(C(=O)O)c1.
The reaction consists of two sequential steps: in the first step, Nc1cccc(C(=O)O)c1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CC(C)(C)OC(=O)C1CCCC(C(=O)O)C1.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CC(C)(C)OC(=O)C1CCCC(C(=O)O)C1 starting from Nc1cccc(C(=O)O)c1.
The reaction consists of two sequential steps: in the first step, Nc1cccc(C(=O)O)c1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CC(C)(C)OC(=O)C1CCCC(C(=O)O)C1.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CC(C)(C)OC(=O)C1CCCC(C(=O)O)C1 starting from Nc1cccc(C(=O)O)c1.
The reaction consists of two sequential steps: in the first step, Nc1cccc(C(=O)O)c1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CC(C)(C)OC(=O)C1CCCC(C(=O)O)C1.
Please provide a possible SMILES representation of the intermediate product x.",['Nc1cccc(C(=O)O)c1>CCO.[Pd].[H][H]>NC1CCCC(C(=O)O)C1'],['NC1CCCC(C(=O)O)C1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C>O.CCN(C(C)C)C(C)C.C1CCOC1>CC(C)(C)OC(=O)C1CCCC(C(=O)O)C1'],['NC1CCCC(C(=O)O)C1']
64,"
Please design a two-step chemical reaction scheme to synthesize Cc1nn(C2CCCCC2)c(N)c1C(N)=O starting from Cl.Cl.NNC1CCCCC1.
The reaction consists of two sequential steps: in the first step, Cl.Cl.NNC1CCCCC1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product Cc1nn(C2CCCCC2)c(N)c1C(N)=O.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize Cc1nn(C2CCCCC2)c(N)c1C(N)=O starting from Cl.Cl.NNC1CCCCC1.
The reaction consists of two sequential steps: in the first step, Cl.Cl.NNC1CCCCC1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product Cc1nn(C2CCCCC2)c(N)c1C(N)=O.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize Cc1nn(C2CCCCC2)c(N)c1C(N)=O starting from Cl.Cl.NNC1CCCCC1.
The reaction consists of two sequential steps: in the first step, Cl.Cl.NNC1CCCCC1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product Cc1nn(C2CCCCC2)c(N)c1C(N)=O.
Please provide a possible SMILES representation of the intermediate product x.",['CCOC(C)=C(C#N)C#N.Cl.Cl.NNC1CCCCC1>CCO.CCN(CC)CC>Cc1nn(C2CCCCC2)c(N)c1C#N'],['O=S(=O)(O)O.Cc1nn(C2CCCCC2)c(N)c1C#N>CC(=O)O>Cc1nn(C2CCCCC2)c(N)c1C(N)=O'],['Cc1nn(C2CCCCC2)c(N)c1C#N']
65,"
Please design a two-step chemical reaction scheme to synthesize COc1cc2ncn(-c3nc(-c4ccccc4)c(C(=O)O)s3)c2cc1OC starting from COc1cc2nc[nH]c2cc1OC.
The reaction consists of two sequential steps: in the first step, COc1cc2nc[nH]c2cc1OC undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product COc1cc2ncn(-c3nc(-c4ccccc4)c(C(=O)O)s3)c2cc1OC.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize COc1cc2ncn(-c3nc(-c4ccccc4)c(C(=O)O)s3)c2cc1OC starting from COc1cc2nc[nH]c2cc1OC.
The reaction consists of two sequential steps: in the first step, COc1cc2nc[nH]c2cc1OC undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product COc1cc2ncn(-c3nc(-c4ccccc4)c(C(=O)O)s3)c2cc1OC.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize COc1cc2ncn(-c3nc(-c4ccccc4)c(C(=O)O)s3)c2cc1OC starting from COc1cc2nc[nH]c2cc1OC.
The reaction consists of two sequential steps: in the first step, COc1cc2nc[nH]c2cc1OC undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product COc1cc2ncn(-c3nc(-c4ccccc4)c(C(=O)O)s3)c2cc1OC.
Please provide a possible SMILES representation of the intermediate product x.",['COc1cc2nc[nH]c2cc1OC.CCOC(=O)c1sc(Cl)nc1-c1ccccc1>CN1CCCC1=O.[H-].[Na+].O>CCOC(=O)c1sc(-n2cnc3cc(OC)c(OC)cc32)nc1-c1ccccc1'],['CCOC(=O)c1sc(-n2cnc3cc(OC)c(OC)cc32)nc1-c1ccccc1>C1CCOC1.[Na+].[OH-].O>COc1cc2ncn(-c3nc(-c4ccccc4)c(C(=O)O)s3)c2cc1OC'],['CCOC(=O)c1sc(-n2cnc3cc(OC)c(OC)cc32)nc1-c1ccccc1']
66,"
Please design a two-step chemical reaction scheme to synthesize CC(C(=O)N1c2ccccc2C(=O)Nc2cccnc21)N1CCN(C)CC1 starting from O=C1Nc2cccnc2Nc2ccccc21.
The reaction consists of two sequential steps: in the first step, O=C1Nc2cccnc2Nc2ccccc21 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CC(C(=O)N1c2ccccc2C(=O)Nc2cccnc21)N1CCN(C)CC1.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CC(C(=O)N1c2ccccc2C(=O)Nc2cccnc21)N1CCN(C)CC1 starting from O=C1Nc2cccnc2Nc2ccccc21.
The reaction consists of two sequential steps: in the first step, O=C1Nc2cccnc2Nc2ccccc21 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CC(C(=O)N1c2ccccc2C(=O)Nc2cccnc21)N1CCN(C)CC1.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CC(C(=O)N1c2ccccc2C(=O)Nc2cccnc21)N1CCN(C)CC1 starting from O=C1Nc2cccnc2Nc2ccccc21.
The reaction consists of two sequential steps: in the first step, O=C1Nc2cccnc2Nc2ccccc21 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CC(C(=O)N1c2ccccc2C(=O)Nc2cccnc21)N1CCN(C)CC1.
Please provide a possible SMILES representation of the intermediate product x.",['CC(Cl)C(=O)Cl.O=C1Nc2cccnc2Nc2ccccc21>C1COCCO1>CC(Cl)C(=O)N1c2ccccc2C(=O)Nc2cccnc21'],['CC(Cl)C(=O)N1c2ccccc2C(=O)Nc2cccnc21.CN1CCNCC1>>CC(C(=O)N1c2ccccc2C(=O)Nc2cccnc21)N1CCN(C)CC1'],['CC(Cl)C(=O)N1c2ccccc2C(=O)Nc2cccnc21']
67,"
Please design a two-step chemical reaction scheme to synthesize C=CC(=O)Nc1cccc(Nc2cc(Oc3ccc4c(c3)OCCO4)ncn2)n1 starting from Nc1cccc(Nc2cc(Cl)ncn2)n1.
The reaction consists of two sequential steps: in the first step, Nc1cccc(Nc2cc(Cl)ncn2)n1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product C=CC(=O)Nc1cccc(Nc2cc(Oc3ccc4c(c3)OCCO4)ncn2)n1.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize C=CC(=O)Nc1cccc(Nc2cc(Oc3ccc4c(c3)OCCO4)ncn2)n1 starting from Nc1cccc(Nc2cc(Cl)ncn2)n1.
The reaction consists of two sequential steps: in the first step, Nc1cccc(Nc2cc(Cl)ncn2)n1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product C=CC(=O)Nc1cccc(Nc2cc(Oc3ccc4c(c3)OCCO4)ncn2)n1.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize C=CC(=O)Nc1cccc(Nc2cc(Oc3ccc4c(c3)OCCO4)ncn2)n1 starting from Nc1cccc(Nc2cc(Cl)ncn2)n1.
The reaction consists of two sequential steps: in the first step, Nc1cccc(Nc2cc(Cl)ncn2)n1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product C=CC(=O)Nc1cccc(Nc2cc(Oc3ccc4c(c3)OCCO4)ncn2)n1.
Please provide a possible SMILES representation of the intermediate product x.",['Oc1ccc2c(c1)OCCO2.Nc1cccc(Nc2cc(Cl)ncn2)n1>CN1CCCC1=O.[Cu]I.O=C([O-])[O-].[Cs+].[Cs+].O>Nc1cccc(Nc2cc(Oc3ccc4c(c3)OCCO4)ncn2)n1'],['Nc1cccc(Nc2cc(Oc3ccc4c(c3)OCCO4)ncn2)n1.C=CC(=O)Cl>CN1CCCC1=O.O.CCN(CC)CC.O=C([O-])[O-].[K+].[K+].O=C([O-])O.[Na+]>C=CC(=O)Nc1cccc(Nc2cc(Oc3ccc4c(c3)OCCO4)ncn2)n1'],['Nc1cccc(Nc2cc(Oc3ccc4c(c3)OCCO4)ncn2)n1']
68,"
Please design a two-step chemical reaction scheme to synthesize Cc1ccc(NC(=O)OC(C)(C)C)cc1Oc1ccc2nc(N)sc2n1 starting from Cc1ccc(NC(=O)OC(C)(C)C)cc1Oc1ccc([N+](=O)[O-])cn1.
The reaction consists of two sequential steps: in the first step, Cc1ccc(NC(=O)OC(C)(C)C)cc1Oc1ccc([N+](=O)[O-])cn1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product Cc1ccc(NC(=O)OC(C)(C)C)cc1Oc1ccc2nc(N)sc2n1.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize Cc1ccc(NC(=O)OC(C)(C)C)cc1Oc1ccc2nc(N)sc2n1 starting from Cc1ccc(NC(=O)OC(C)(C)C)cc1Oc1ccc([N+](=O)[O-])cn1.
The reaction consists of two sequential steps: in the first step, Cc1ccc(NC(=O)OC(C)(C)C)cc1Oc1ccc([N+](=O)[O-])cn1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product Cc1ccc(NC(=O)OC(C)(C)C)cc1Oc1ccc2nc(N)sc2n1.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize Cc1ccc(NC(=O)OC(C)(C)C)cc1Oc1ccc2nc(N)sc2n1 starting from Cc1ccc(NC(=O)OC(C)(C)C)cc1Oc1ccc([N+](=O)[O-])cn1.
The reaction consists of two sequential steps: in the first step, Cc1ccc(NC(=O)OC(C)(C)C)cc1Oc1ccc([N+](=O)[O-])cn1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product Cc1ccc(NC(=O)OC(C)(C)C)cc1Oc1ccc2nc(N)sc2n1.
Please provide a possible SMILES representation of the intermediate product x.",['Cc1ccc(NC(=O)OC(C)(C)C)cc1Oc1ccc([N+](=O)[O-])cn1>CO.[C].[Pd].CN1CCCC1=O>Cc1ccc(NC(=O)OC(C)(C)C)cc1Oc1ccc(N)cn1'],['N#C[S-].[K+].Cc1ccc(NC(=O)OC(C)(C)C)cc1Oc1ccc(N)cn1>CC(=O)O.BrBr>Cc1ccc(NC(=O)OC(C)(C)C)cc1Oc1ccc2nc(N)sc2n1'],['Cc1ccc(NC(=O)OC(C)(C)C)cc1Oc1ccc(N)cn1']
69,"
Please design a two-step chemical reaction scheme to synthesize COc1cnccc1-c1nc2cc(C(F)(F)F)ccc2n1C starting from O=Cc1ccncc1F.
The reaction consists of two sequential steps: in the first step, O=Cc1ccncc1F undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product COc1cnccc1-c1nc2cc(C(F)(F)F)ccc2n1C.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize COc1cnccc1-c1nc2cc(C(F)(F)F)ccc2n1C starting from O=Cc1ccncc1F.
The reaction consists of two sequential steps: in the first step, O=Cc1ccncc1F undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product COc1cnccc1-c1nc2cc(C(F)(F)F)ccc2n1C.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize COc1cnccc1-c1nc2cc(C(F)(F)F)ccc2n1C starting from O=Cc1ccncc1F.
The reaction consists of two sequential steps: in the first step, O=Cc1ccncc1F undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product COc1cnccc1-c1nc2cc(C(F)(F)F)ccc2n1C.
Please provide a possible SMILES representation of the intermediate product x.",['CNc1ccc(C(F)(F)F)cc1N.O=Cc1ccncc1F>CN(C)C=O.O=S([O-])O.[Na+].[Cl-].[NH4+]>Cn1c(-c2ccncc2F)nc2cc(C(F)(F)F)ccc21'],['Cn1c(-c2ccncc2F)nc2cc(C(F)(F)F)ccc21.C[O-].[Na+]>CN(C)C=O.[Cl-].[NH4+]>COc1cnccc1-c1nc2cc(C(F)(F)F)ccc2n1C'],['Cn1c(-c2ccncc2F)nc2cc(C(F)(F)F)ccc21']
70,"
Please design a two-step chemical reaction scheme to synthesize COCCCCC(=O)O starting from COC(=O)CCCCBr.
The reaction consists of two sequential steps: in the first step, COC(=O)CCCCBr undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product COCCCCC(=O)O.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize COCCCCC(=O)O starting from COC(=O)CCCCBr.
The reaction consists of two sequential steps: in the first step, COC(=O)CCCCBr undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product COCCCCC(=O)O.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize COCCCCC(=O)O starting from COC(=O)CCCCBr.
The reaction consists of two sequential steps: in the first step, COC(=O)CCCCBr undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product COCCCCC(=O)O.
Please provide a possible SMILES representation of the intermediate product x.",['COC(=O)CCCCBr.C[O-].[Na+]>CO>COCCCCC(=O)OC'],['COCCCCC(=O)OC>CO.[K+].[OH-].O>COCCCCC(=O)O'],['COCCCCC(=O)OC']
71,"
Please design a two-step chemical reaction scheme to synthesize CSc1nccc(-n2c(-c3ccc(F)cc3)nc3nc(Cl)ccc32)n1 starting from CS(=O)c1nccc(-n2c(-c3ccc(F)cc3)nc3nc(Cl)ccc32)n1.
The reaction consists of two sequential steps: in the first step, CS(=O)c1nccc(-n2c(-c3ccc(F)cc3)nc3nc(Cl)ccc32)n1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CSc1nccc(-n2c(-c3ccc(F)cc3)nc3nc(Cl)ccc32)n1.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CSc1nccc(-n2c(-c3ccc(F)cc3)nc3nc(Cl)ccc32)n1 starting from CS(=O)c1nccc(-n2c(-c3ccc(F)cc3)nc3nc(Cl)ccc32)n1.
The reaction consists of two sequential steps: in the first step, CS(=O)c1nccc(-n2c(-c3ccc(F)cc3)nc3nc(Cl)ccc32)n1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CSc1nccc(-n2c(-c3ccc(F)cc3)nc3nc(Cl)ccc32)n1.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CSc1nccc(-n2c(-c3ccc(F)cc3)nc3nc(Cl)ccc32)n1 starting from CS(=O)c1nccc(-n2c(-c3ccc(F)cc3)nc3nc(Cl)ccc32)n1.
The reaction consists of two sequential steps: in the first step, CS(=O)c1nccc(-n2c(-c3ccc(F)cc3)nc3nc(Cl)ccc32)n1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CSc1nccc(-n2c(-c3ccc(F)cc3)nc3nc(Cl)ccc32)n1.
Please provide a possible SMILES representation of the intermediate product x.",['CS(=O)c1nccc(-n2c(-c3ccc(F)cc3)nc3nc(Cl)ccc32)n1>NC1CCCC1>Fc1ccc(-c2nc3nc(Cl)ccc3[nH]2)cc1'],['Fc1ccc(-c2nc3nc(Cl)ccc3[nH]2)cc1.CSc1nccc(I)n1>Cc1ccccc1.CN(C)C=O>CSc1nccc(-n2c(-c3ccc(F)cc3)nc3nc(Cl)ccc32)n1'],['Fc1ccc(-c2nc3nc(Cl)ccc3[nH]2)cc1']
72,"
Please design a two-step chemical reaction scheme to synthesize Cc1cnccc1C(=N)NO starting from Cc1ccc[n+]([O-])c1.
The reaction consists of two sequential steps: in the first step, Cc1ccc[n+]([O-])c1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product Cc1cnccc1C(=N)NO.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize Cc1cnccc1C(=N)NO starting from Cc1ccc[n+]([O-])c1.
The reaction consists of two sequential steps: in the first step, Cc1ccc[n+]([O-])c1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product Cc1cnccc1C(=N)NO.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize Cc1cnccc1C(=N)NO starting from Cc1ccc[n+]([O-])c1.
The reaction consists of two sequential steps: in the first step, Cc1ccc[n+]([O-])c1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product Cc1cnccc1C(=N)NO.
Please provide a possible SMILES representation of the intermediate product x.",['Cc1ccc[n+]([O-])c1.[C-]#N.[Na+]>ClCCl.O.CCI>Cc1cnccc1C#N'],['Cc1cnccc1C#N.Cl.NO>CCO.O=C([O-])[O-].[Na+].[Na+]>Cc1cnccc1C(=N)NO'],['Cc1cnccc1C#N']
73,"
Please design a two-step chemical reaction scheme to synthesize CCOC(=O)c1ccc(CN(CC)Cc2cc(Br)ccc2OCc2ccccc2)cc1 starting from CCOC(=O)c1ccc(CN)cc1.
The reaction consists of two sequential steps: in the first step, CCOC(=O)c1ccc(CN)cc1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CCOC(=O)c1ccc(CN(CC)Cc2cc(Br)ccc2OCc2ccccc2)cc1.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CCOC(=O)c1ccc(CN(CC)Cc2cc(Br)ccc2OCc2ccccc2)cc1 starting from CCOC(=O)c1ccc(CN)cc1.
The reaction consists of two sequential steps: in the first step, CCOC(=O)c1ccc(CN)cc1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CCOC(=O)c1ccc(CN(CC)Cc2cc(Br)ccc2OCc2ccccc2)cc1.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CCOC(=O)c1ccc(CN(CC)Cc2cc(Br)ccc2OCc2ccccc2)cc1 starting from CCOC(=O)c1ccc(CN)cc1.
The reaction consists of two sequential steps: in the first step, CCOC(=O)c1ccc(CN)cc1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CCOC(=O)c1ccc(CN(CC)Cc2cc(Br)ccc2OCc2ccccc2)cc1.
Please provide a possible SMILES representation of the intermediate product x.",['O=Cc1cc(Br)ccc1OCc1ccccc1.CCOC(=O)c1ccc(CN)cc1>CCO.O.[BH4-].[Na+].CC(=O)O>CCOC(=O)c1ccc(CNCc2cc(Br)ccc2OCc2ccccc2)cc1'],['CCOC(=O)c1ccc(CNCc2cc(Br)ccc2OCc2ccccc2)cc1.CCI>CN(C)C=O.O.[H-].[Na+].CC(=O)O>CCOC(=O)c1ccc(CN(CC)Cc2cc(Br)ccc2OCc2ccccc2)cc1'],['CCOC(=O)c1ccc(CNCc2cc(Br)ccc2OCc2ccccc2)cc1']
74,"
Please design a two-step chemical reaction scheme to synthesize CNCC(=O)Nc1c(C)cccc1C starting from Cc1cccc(C)c1N.
The reaction consists of two sequential steps: in the first step, Cc1cccc(C)c1N undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CNCC(=O)Nc1c(C)cccc1C.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CNCC(=O)Nc1c(C)cccc1C starting from Cc1cccc(C)c1N.
The reaction consists of two sequential steps: in the first step, Cc1cccc(C)c1N undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CNCC(=O)Nc1c(C)cccc1C.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CNCC(=O)Nc1c(C)cccc1C starting from Cc1cccc(C)c1N.
The reaction consists of two sequential steps: in the first step, Cc1cccc(C)c1N undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CNCC(=O)Nc1c(C)cccc1C.
Please provide a possible SMILES representation of the intermediate product x.",['Cc1cccc(C)c1N.O=C(Cl)CCl>CCOC(C)=O.O=C([O-])[O-].[Na+].[Na+]>Cc1cccc(C)c1NC(=O)CCl'],['Cc1cccc(C)c1NC(=O)CCl.CN>>CNCC(=O)Nc1c(C)cccc1C'],['Cc1cccc(C)c1NC(=O)CCl']
75,"
Please design a two-step chemical reaction scheme to synthesize CC1(C)CN=C2C(c3ccccc3)=[N+]([O-])c3cc(C(F)(F)F)ccc3N2C1.Cl starting from O=[N+]([O-])c1cc(C(F)(F)F)ccc1F.
The reaction consists of two sequential steps: in the first step, O=[N+]([O-])c1cc(C(F)(F)F)ccc1F undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CC1(C)CN=C2C(c3ccccc3)=[N+]([O-])c3cc(C(F)(F)F)ccc3N2C1.Cl.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CC1(C)CN=C2C(c3ccccc3)=[N+]([O-])c3cc(C(F)(F)F)ccc3N2C1.Cl starting from O=[N+]([O-])c1cc(C(F)(F)F)ccc1F.
The reaction consists of two sequential steps: in the first step, O=[N+]([O-])c1cc(C(F)(F)F)ccc1F undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CC1(C)CN=C2C(c3ccccc3)=[N+]([O-])c3cc(C(F)(F)F)ccc3N2C1.Cl.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CC1(C)CN=C2C(c3ccccc3)=[N+]([O-])c3cc(C(F)(F)F)ccc3N2C1.Cl starting from O=[N+]([O-])c1cc(C(F)(F)F)ccc1F.
The reaction consists of two sequential steps: in the first step, O=[N+]([O-])c1cc(C(F)(F)F)ccc1F undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CC1(C)CN=C2C(c3ccccc3)=[N+]([O-])c3cc(C(F)(F)F)ccc3N2C1.Cl.
Please provide a possible SMILES representation of the intermediate product x.",['CC1(C)CN=C(Cc2ccccc2)NC1.O=[N+]([O-])c1cc(C(F)(F)F)ccc1F>CC#N.O=C([O-])[O-].[K+].[K+]>CC1(C)CN=C2C(c3ccccc3)=[N+]([O-])c3cc(C(F)(F)F)ccc3N2C1'],['CC1(C)CN=C2C(c3ccccc3)=[N+]([O-])c3cc(C(F)(F)F)ccc3N2C1.Cl>CCO>CC1(C)CN=C2C(c3ccccc3)=[N+]([O-])c3cc(C(F)(F)F)ccc3N2C1.Cl'],['CC1(C)CN=C2C(c3ccccc3)=[N+]([O-])c3cc(C(F)(F)F)ccc3N2C1']
76,"
Please design a two-step chemical reaction scheme to synthesize Clc1ccc(-c2c[nH]c(C3CN(Cc4ccccc4)CCO3)n2)cc1 starting from O=C(O)C1CN(Cc2ccccc2)CCO1.
The reaction consists of two sequential steps: in the first step, O=C(O)C1CN(Cc2ccccc2)CCO1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product Clc1ccc(-c2c[nH]c(C3CN(Cc4ccccc4)CCO3)n2)cc1.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize Clc1ccc(-c2c[nH]c(C3CN(Cc4ccccc4)CCO3)n2)cc1 starting from O=C(O)C1CN(Cc2ccccc2)CCO1.
The reaction consists of two sequential steps: in the first step, O=C(O)C1CN(Cc2ccccc2)CCO1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product Clc1ccc(-c2c[nH]c(C3CN(Cc4ccccc4)CCO3)n2)cc1.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize Clc1ccc(-c2c[nH]c(C3CN(Cc4ccccc4)CCO3)n2)cc1 starting from O=C(O)C1CN(Cc2ccccc2)CCO1.
The reaction consists of two sequential steps: in the first step, O=C(O)C1CN(Cc2ccccc2)CCO1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product Clc1ccc(-c2c[nH]c(C3CN(Cc4ccccc4)CCO3)n2)cc1.
Please provide a possible SMILES representation of the intermediate product x.",['O=C(O)C1CN(Cc2ccccc2)CCO1.NCC(=O)c1ccc(Cl)cc1>ClCCl.O.CN(C)C=O.O=C(Cl)C(=O)Cl.CCN(CC)CC>O=C(CNC(=O)C1CN(Cc2ccccc2)CCO1)c1ccc(Cl)cc1'],['O=C(CNC(=O)C1CN(Cc2ccccc2)CCO1)c1ccc(Cl)cc1.O=C([O-])C(F)(F)F.[NH4+]>ClCCl.O>Clc1ccc(-c2c[nH]c(C3CN(Cc4ccccc4)CCO3)n2)cc1'],['O=C(CNC(=O)C1CN(Cc2ccccc2)CCO1)c1ccc(Cl)cc1']
77,"
Please design a two-step chemical reaction scheme to synthesize COC1=CC(=O)C(CCC(C)C)(OC)c2ccccc21 starting from CCOCC.FB(F)F.
The reaction consists of two sequential steps: in the first step, CCOCC.FB(F)F undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product COC1=CC(=O)C(CCC(C)C)(OC)c2ccccc21.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize COC1=CC(=O)C(CCC(C)C)(OC)c2ccccc21 starting from CCOCC.FB(F)F.
The reaction consists of two sequential steps: in the first step, CCOCC.FB(F)F undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product COC1=CC(=O)C(CCC(C)C)(OC)c2ccccc21.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize COC1=CC(=O)C(CCC(C)C)(OC)c2ccccc21 starting from CCOCC.FB(F)F.
The reaction consists of two sequential steps: in the first step, CCOCC.FB(F)F undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product COC1=CC(=O)C(CCC(C)C)(OC)c2ccccc21.
Please provide a possible SMILES representation of the intermediate product x.",['CC(C)CCC1(O)C(=O)CC(=O)c2ccccc21.CCOCC.FB(F)F>CO>COC1=CC(=O)C(O)(CCC(C)C)c2ccccc21'],['COC1=CC(=O)C(O)(CCC(C)C)c2ccccc21.CI>CN(C)C=O.[H-].[Na+]>COC1=CC(=O)C(CCC(C)C)(OC)c2ccccc21'],['COC1=CC(=O)C(O)(CCC(C)C)c2ccccc21']
78,"
Please design a two-step chemical reaction scheme to synthesize CC(C)(C)OC(=O)c1ccccc1-c1ccc(CBr)cc1 starting from Cc1ccc(B(O)O)cc1.
The reaction consists of two sequential steps: in the first step, Cc1ccc(B(O)O)cc1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CC(C)(C)OC(=O)c1ccccc1-c1ccc(CBr)cc1.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CC(C)(C)OC(=O)c1ccccc1-c1ccc(CBr)cc1 starting from Cc1ccc(B(O)O)cc1.
The reaction consists of two sequential steps: in the first step, Cc1ccc(B(O)O)cc1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CC(C)(C)OC(=O)c1ccccc1-c1ccc(CBr)cc1.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CC(C)(C)OC(=O)c1ccccc1-c1ccc(CBr)cc1 starting from Cc1ccc(B(O)O)cc1.
The reaction consists of two sequential steps: in the first step, Cc1ccc(B(O)O)cc1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CC(C)(C)OC(=O)c1ccccc1-c1ccc(CBr)cc1.
Please provide a possible SMILES representation of the intermediate product x.",['CC(C)(C)OC(=O)c1ccccc1Br.Cc1ccc(B(O)O)cc1>c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.O.O=C([O-])[O-].[K+].[K+].C1COCCO1>Cc1ccc(-c2ccccc2C(=O)OC(C)(C)C)cc1'],['Cc1ccc(-c2ccccc2C(=O)OC(C)(C)C)cc1.O=C1CCC(=O)N1Br>ClC(Cl)(Cl)Cl.CC(C)(C#N)N=NC(C)(C)C#N>CC(C)(C)OC(=O)c1ccccc1-c1ccc(CBr)cc1'],['Cc1ccc(-c2ccccc2C(=O)OC(C)(C)C)cc1']
79,"
Please design a two-step chemical reaction scheme to synthesize CCOC(=O)N1CC2CC(C1)C(O)(c1cncc(-c3ccccc3)c1)C2 starting from OB(O)c1ccccc1.
The reaction consists of two sequential steps: in the first step, OB(O)c1ccccc1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CCOC(=O)N1CC2CC(C1)C(O)(c1cncc(-c3ccccc3)c1)C2.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CCOC(=O)N1CC2CC(C1)C(O)(c1cncc(-c3ccccc3)c1)C2 starting from OB(O)c1ccccc1.
The reaction consists of two sequential steps: in the first step, OB(O)c1ccccc1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CCOC(=O)N1CC2CC(C1)C(O)(c1cncc(-c3ccccc3)c1)C2.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CCOC(=O)N1CC2CC(C1)C(O)(c1cncc(-c3ccccc3)c1)C2 starting from OB(O)c1ccccc1.
The reaction consists of two sequential steps: in the first step, OB(O)c1ccccc1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CCOC(=O)N1CC2CC(C1)C(O)(c1cncc(-c3ccccc3)c1)C2.
Please provide a possible SMILES representation of the intermediate product x.",['Brc1cncc(Br)c1.OB(O)c1ccccc1>>Brc1cncc(-c2ccccc2)c1'],['Brc1cncc(-c2ccccc2)c1.CCOC(=O)N1CC2CC(=O)C(C2)C1>C1CCOC1.CC(C)[Mg]Cl>CCOC(=O)N1CC2CC(C1)C(O)(c1cncc(-c3ccccc3)c1)C2'],['Brc1cncc(-c2ccccc2)c1']
80,"
Please design a two-step chemical reaction scheme to synthesize COC(=O)c1ccc(NC(=O)c2ccccc2C)nc1 starting from Nc1ccc(C(=O)O)cn1.
The reaction consists of two sequential steps: in the first step, Nc1ccc(C(=O)O)cn1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product COC(=O)c1ccc(NC(=O)c2ccccc2C)nc1.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize COC(=O)c1ccc(NC(=O)c2ccccc2C)nc1 starting from Nc1ccc(C(=O)O)cn1.
The reaction consists of two sequential steps: in the first step, Nc1ccc(C(=O)O)cn1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product COC(=O)c1ccc(NC(=O)c2ccccc2C)nc1.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize COC(=O)c1ccc(NC(=O)c2ccccc2C)nc1 starting from Nc1ccc(C(=O)O)cn1.
The reaction consists of two sequential steps: in the first step, Nc1ccc(C(=O)O)cn1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product COC(=O)c1ccc(NC(=O)c2ccccc2C)nc1.
Please provide a possible SMILES representation of the intermediate product x.",['Nc1ccc(C(=O)O)cn1.C[Si](C)(C)C=[N+]=[N-]>CO.ClC(Cl)Cl.CC(=O)O>COC(=O)c1ccc(N)nc1'],['COC(=O)c1ccc(N)nc1.Cc1ccccc1C(=O)Cl>c1ccncc1.O>COC(=O)c1ccc(NC(=O)c2ccccc2C)nc1'],['COC(=O)c1ccc(N)nc1']
81,"
Please design a two-step chemical reaction scheme to synthesize OCc1cnc(-c2c(F)cccc2F)[nH]1 starting from C[Si](C)(C)N[Si](C)(C)C.
The reaction consists of two sequential steps: in the first step, C[Si](C)(C)N[Si](C)(C)C undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product OCc1cnc(-c2c(F)cccc2F)[nH]1.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize OCc1cnc(-c2c(F)cccc2F)[nH]1 starting from C[Si](C)(C)N[Si](C)(C)C.
The reaction consists of two sequential steps: in the first step, C[Si](C)(C)N[Si](C)(C)C undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product OCc1cnc(-c2c(F)cccc2F)[nH]1.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize OCc1cnc(-c2c(F)cccc2F)[nH]1 starting from C[Si](C)(C)N[Si](C)(C)C.
The reaction consists of two sequential steps: in the first step, C[Si](C)(C)N[Si](C)(C)C undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product OCc1cnc(-c2c(F)cccc2F)[nH]1.
Please provide a possible SMILES representation of the intermediate product x.",['C[Si](C)(C)N[Si](C)(C)C.N#Cc1c(F)cccc1F>C1CCOC1.[Li]CCCC.Cl>N=C(N)c1c(F)cccc1F'],['N=C(N)c1c(F)cccc1F.O=C(CO)CO>N.O.[Cl-].[NH4+].O>OCc1cnc(-c2c(F)cccc2F)[nH]1'],['N=C(N)c1c(F)cccc1F']
82,"
Please design a two-step chemical reaction scheme to synthesize Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4nc5cc(-c6ccccc6)ccc5o4)CC3)ccc2s1 starting from COC(CCl)(OC)OC.
The reaction consists of two sequential steps: in the first step, COC(CCl)(OC)OC undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4nc5cc(-c6ccccc6)ccc5o4)CC3)ccc2s1.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4nc5cc(-c6ccccc6)ccc5o4)CC3)ccc2s1 starting from COC(CCl)(OC)OC.
The reaction consists of two sequential steps: in the first step, COC(CCl)(OC)OC undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4nc5cc(-c6ccccc6)ccc5o4)CC3)ccc2s1.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4nc5cc(-c6ccccc6)ccc5o4)CC3)ccc2s1 starting from COC(CCl)(OC)OC.
The reaction consists of two sequential steps: in the first step, COC(CCl)(OC)OC undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4nc5cc(-c6ccccc6)ccc5o4)CC3)ccc2s1.
Please provide a possible SMILES representation of the intermediate product x.",['Nc1cc(-c2ccccc2)ccc1O.COC(CCl)(OC)OC>>ClCc1nc2cc(-c3ccccc3)ccc2o1'],['Cc1nc2cc(OC[C@H](O)CN3CCN(C(C)C)CC3)ccc2s1.ClCc1nc2cc(-c3ccccc3)ccc2o1>CN(C)C=O>Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4nc5cc(-c6ccccc6)ccc5o4)CC3)ccc2s1'],['ClCc1nc2cc(-c3ccccc3)ccc2o1']
83,"
Please design a two-step chemical reaction scheme to synthesize Cc1ncc2c(N3CCN(CCc4cccc(NS(C)(=O)=O)c4)CC3)cccc2n1 starting from CS(=O)(=O)Cl.
The reaction consists of two sequential steps: in the first step, CS(=O)(=O)Cl undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product Cc1ncc2c(N3CCN(CCc4cccc(NS(C)(=O)=O)c4)CC3)cccc2n1.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize Cc1ncc2c(N3CCN(CCc4cccc(NS(C)(=O)=O)c4)CC3)cccc2n1 starting from CS(=O)(=O)Cl.
The reaction consists of two sequential steps: in the first step, CS(=O)(=O)Cl undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product Cc1ncc2c(N3CCN(CCc4cccc(NS(C)(=O)=O)c4)CC3)cccc2n1.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize Cc1ncc2c(N3CCN(CCc4cccc(NS(C)(=O)=O)c4)CC3)cccc2n1 starting from CS(=O)(=O)Cl.
The reaction consists of two sequential steps: in the first step, CS(=O)(=O)Cl undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product Cc1ncc2c(N3CCN(CCc4cccc(NS(C)(=O)=O)c4)CC3)cccc2n1.
Please provide a possible SMILES representation of the intermediate product x.",['Nc1cccc(CCO)c1.CS(=O)(=O)Cl>>CS(=O)(=O)Nc1cccc(CCOS(C)(=O)=O)c1'],['Cc1ncc2c(N3CCNCC3)cccc2n1.CS(=O)(=O)Nc1cccc(CCOS(C)(=O)=O)c1>CN(C)C=O.CCN(C(C)C)C(C)C>Cc1ncc2c(N3CCN(CCc4cccc(NS(C)(=O)=O)c4)CC3)cccc2n1'],['CS(=O)(=O)Nc1cccc(CCOS(C)(=O)=O)c1']
84,"
Please design a two-step chemical reaction scheme to synthesize COc1ccc(-c2cc(=S)n(C)c(=O)n2C)cc1OC starting from COc1ccc(-c2cc(=O)[nH]c(=O)[nH]2)cc1OC.
The reaction consists of two sequential steps: in the first step, COc1ccc(-c2cc(=O)[nH]c(=O)[nH]2)cc1OC undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product COc1ccc(-c2cc(=S)n(C)c(=O)n2C)cc1OC.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize COc1ccc(-c2cc(=S)n(C)c(=O)n2C)cc1OC starting from COc1ccc(-c2cc(=O)[nH]c(=O)[nH]2)cc1OC.
The reaction consists of two sequential steps: in the first step, COc1ccc(-c2cc(=O)[nH]c(=O)[nH]2)cc1OC undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product COc1ccc(-c2cc(=S)n(C)c(=O)n2C)cc1OC.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize COc1ccc(-c2cc(=S)n(C)c(=O)n2C)cc1OC starting from COc1ccc(-c2cc(=O)[nH]c(=O)[nH]2)cc1OC.
The reaction consists of two sequential steps: in the first step, COc1ccc(-c2cc(=O)[nH]c(=O)[nH]2)cc1OC undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product COc1ccc(-c2cc(=S)n(C)c(=O)n2C)cc1OC.
Please provide a possible SMILES representation of the intermediate product x.",['COc1ccc(-c2cc(=O)[nH]c(=O)[nH]2)cc1OC.CI.CN(C)C=O>[H-].[Na+].O>COc1ccc(-c2cc(=O)n(C)c(=O)n2C)cc1OC'],['COc1ccc(-c2cc(=O)n(C)c(=O)n2C)cc1OC.S=P12SP3(=S)SP(=S)(S1)SP(=S)(S2)S3>c1ccncc1>COc1ccc(-c2cc(=S)n(C)c(=O)n2C)cc1OC'],['COc1ccc(-c2cc(=O)n(C)c(=O)n2C)cc1OC']
85,"
Please design a two-step chemical reaction scheme to synthesize CCNC(=O)N1CCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2CC1 starting from NS(=O)(=O)c1ccc2c(c1)CCNCC2.
The reaction consists of two sequential steps: in the first step, NS(=O)(=O)c1ccc2c(c1)CCNCC2 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CCNC(=O)N1CCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2CC1.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CCNC(=O)N1CCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2CC1 starting from NS(=O)(=O)c1ccc2c(c1)CCNCC2.
The reaction consists of two sequential steps: in the first step, NS(=O)(=O)c1ccc2c(c1)CCNCC2 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CCNC(=O)N1CCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2CC1.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CCNC(=O)N1CCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2CC1 starting from NS(=O)(=O)c1ccc2c(c1)CCNCC2.
The reaction consists of two sequential steps: in the first step, NS(=O)(=O)c1ccc2c(c1)CCNCC2 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CCNC(=O)N1CCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2CC1.
Please provide a possible SMILES representation of the intermediate product x.",['NS(=O)(=O)c1ccc2c(c1)CCNCC2.CCN=C=O>CN(C)C=O>CCNC(=O)N1CCc2ccc(S(N)(=O)=O)cc2CC1'],['CCNC(=O)N1CCc2ccc(S(N)(=O)=O)cc2CC1.O=C=NC1CCCCC1>>CCNC(=O)N1CCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2CC1'],['CCNC(=O)N1CCc2ccc(S(N)(=O)=O)cc2CC1']
86,"
Please design a two-step chemical reaction scheme to synthesize COCn1c2ccc(F)cc2c2c(CC#N)nn(-c3ccccc3)c(=O)c21 starting from COCn1c2ccc(F)cc2c2c(CO)nn(-c3ccccc3)c(=O)c21.
The reaction consists of two sequential steps: in the first step, COCn1c2ccc(F)cc2c2c(CO)nn(-c3ccccc3)c(=O)c21 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product COCn1c2ccc(F)cc2c2c(CC#N)nn(-c3ccccc3)c(=O)c21.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize COCn1c2ccc(F)cc2c2c(CC#N)nn(-c3ccccc3)c(=O)c21 starting from COCn1c2ccc(F)cc2c2c(CO)nn(-c3ccccc3)c(=O)c21.
The reaction consists of two sequential steps: in the first step, COCn1c2ccc(F)cc2c2c(CO)nn(-c3ccccc3)c(=O)c21 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product COCn1c2ccc(F)cc2c2c(CC#N)nn(-c3ccccc3)c(=O)c21.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize COCn1c2ccc(F)cc2c2c(CC#N)nn(-c3ccccc3)c(=O)c21 starting from COCn1c2ccc(F)cc2c2c(CO)nn(-c3ccccc3)c(=O)c21.
The reaction consists of two sequential steps: in the first step, COCn1c2ccc(F)cc2c2c(CO)nn(-c3ccccc3)c(=O)c21 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product COCn1c2ccc(F)cc2c2c(CC#N)nn(-c3ccccc3)c(=O)c21.
Please provide a possible SMILES representation of the intermediate product x.",['COCn1c2ccc(F)cc2c2c(CO)nn(-c3ccccc3)c(=O)c21.BrC(Br)(Br)Br>ClCCl.c1ccc(P(c2ccccc2)c2ccccc2)cc1.C1CCCCC1>COCn1c2ccc(F)cc2c2c(CBr)nn(-c3ccccc3)c(=O)c21'],['COCn1c2ccc(F)cc2c2c(CBr)nn(-c3ccccc3)c(=O)c21.[C-]#N.[Na+]>CCCC[N+](CCCC)(CCCC)CCCC.[Br-].ClCCl.O>COCn1c2ccc(F)cc2c2c(CC#N)nn(-c3ccccc3)c(=O)c21'],['COCn1c2ccc(F)cc2c2c(CBr)nn(-c3ccccc3)c(=O)c21']
87,"
Please design a two-step chemical reaction scheme to synthesize CCOP(=O)(Cc1cc2cc(OC)c(OC)cc2nc1C)OCC starting from COc1cc2cc(CO)c(C)nc2cc1OC.
The reaction consists of two sequential steps: in the first step, COc1cc2cc(CO)c(C)nc2cc1OC undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CCOP(=O)(Cc1cc2cc(OC)c(OC)cc2nc1C)OCC.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CCOP(=O)(Cc1cc2cc(OC)c(OC)cc2nc1C)OCC starting from COc1cc2cc(CO)c(C)nc2cc1OC.
The reaction consists of two sequential steps: in the first step, COc1cc2cc(CO)c(C)nc2cc1OC undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CCOP(=O)(Cc1cc2cc(OC)c(OC)cc2nc1C)OCC.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CCOP(=O)(Cc1cc2cc(OC)c(OC)cc2nc1C)OCC starting from COc1cc2cc(CO)c(C)nc2cc1OC.
The reaction consists of two sequential steps: in the first step, COc1cc2cc(CO)c(C)nc2cc1OC undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CCOP(=O)(Cc1cc2cc(OC)c(OC)cc2nc1C)OCC.
Please provide a possible SMILES representation of the intermediate product x.",['COc1cc2cc(CO)c(C)nc2cc1OC.O=S(Cl)Cl>>COc1cc2cc(CCl)c(C)nc2cc1OC'],['COc1cc2cc(CCl)c(C)nc2cc1OC.CCOP(OCC)OCC>>CCOP(=O)(Cc1cc2cc(OC)c(OC)cc2nc1C)OCC'],['COc1cc2cc(CCl)c(C)nc2cc1OC']
88,"
Please design a two-step chemical reaction scheme to synthesize COC(=O)c1ccc2c(c1)NC(c1cccc(N3CCOCC3)c1)CC2(C)C starting from O=Cc1cccc(Br)c1.
The reaction consists of two sequential steps: in the first step, O=Cc1cccc(Br)c1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product COC(=O)c1ccc2c(c1)NC(c1cccc(N3CCOCC3)c1)CC2(C)C.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize COC(=O)c1ccc2c(c1)NC(c1cccc(N3CCOCC3)c1)CC2(C)C starting from O=Cc1cccc(Br)c1.
The reaction consists of two sequential steps: in the first step, O=Cc1cccc(Br)c1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product COC(=O)c1ccc2c(c1)NC(c1cccc(N3CCOCC3)c1)CC2(C)C.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize COC(=O)c1ccc2c(c1)NC(c1cccc(N3CCOCC3)c1)CC2(C)C starting from O=Cc1cccc(Br)c1.
The reaction consists of two sequential steps: in the first step, O=Cc1cccc(Br)c1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product COC(=O)c1ccc2c(c1)NC(c1cccc(N3CCOCC3)c1)CC2(C)C.
Please provide a possible SMILES representation of the intermediate product x.",['COC(=O)c1cccc(N)c1.O=Cc1cccc(Br)c1.C=C(C)C>CC#N.CCOC(C)=O.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Yb+3]>COC(=O)c1ccc2c(c1)NC(c1cccc(Br)c1)CC2(C)C'],['COC(=O)c1ccc2c(c1)NC(c1cccc(Br)c1)CC2(C)C.C1COCCN1>CS(C)=O.[Cu]I.CN(C)CC(=O)O.Cl.O=C([O-])[O-].[K+].[K+]>COC(=O)c1ccc2c(c1)NC(c1cccc(N3CCOCC3)c1)CC2(C)C'],['COC(=O)c1ccc2c(c1)NC(c1cccc(Br)c1)CC2(C)C']
89,"
Please design a two-step chemical reaction scheme to synthesize C[C@H]1CN(Cc2ccccc2)C[C@@H]1CNC1CC1 starting from NC1CC1.
The reaction consists of two sequential steps: in the first step, NC1CC1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product C[C@H]1CN(Cc2ccccc2)C[C@@H]1CNC1CC1.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize C[C@H]1CN(Cc2ccccc2)C[C@@H]1CNC1CC1 starting from NC1CC1.
The reaction consists of two sequential steps: in the first step, NC1CC1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product C[C@H]1CN(Cc2ccccc2)C[C@@H]1CNC1CC1.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize C[C@H]1CN(Cc2ccccc2)C[C@@H]1CNC1CC1 starting from NC1CC1.
The reaction consists of two sequential steps: in the first step, NC1CC1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product C[C@H]1CN(Cc2ccccc2)C[C@@H]1CNC1CC1.
Please provide a possible SMILES representation of the intermediate product x.",['C[C@H]1CN(Cc2ccccc2)C[C@@H]1C(=O)O.NC1CC1>ClCCl.CCN=C=NCCCN(C)C.Cl>C[C@H]1CN(Cc2ccccc2)C[C@@H]1C(=O)NC1CC1'],['C[C@H]1CN(Cc2ccccc2)C[C@@H]1C(=O)NC1CC1>Cc1ccccc1.O=C([O-])[O-].[Na+].[Na+]>C[C@H]1CN(Cc2ccccc2)C[C@@H]1CNC1CC1'],['C[C@H]1CN(Cc2ccccc2)C[C@@H]1C(=O)NC1CC1']
90,"
Please design a two-step chemical reaction scheme to synthesize COc1ccc(N)cc1OC1CCCC1 starting from COc1ccc([N+](=O)[O-])cc1O.
The reaction consists of two sequential steps: in the first step, COc1ccc([N+](=O)[O-])cc1O undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product COc1ccc(N)cc1OC1CCCC1.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize COc1ccc(N)cc1OC1CCCC1 starting from COc1ccc([N+](=O)[O-])cc1O.
The reaction consists of two sequential steps: in the first step, COc1ccc([N+](=O)[O-])cc1O undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product COc1ccc(N)cc1OC1CCCC1.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize COc1ccc(N)cc1OC1CCCC1 starting from COc1ccc([N+](=O)[O-])cc1O.
The reaction consists of two sequential steps: in the first step, COc1ccc([N+](=O)[O-])cc1O undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product COc1ccc(N)cc1OC1CCCC1.
Please provide a possible SMILES representation of the intermediate product x.",['COc1ccc([N+](=O)[O-])cc1O.BrC1CCCC1>CN(C)C=O.O=C([O-])[O-].[Cs+].[Cs+].O=C([O-])[O-].[Na+].[Na+]>COc1ccc([N+](=O)[O-])cc1OC1CCCC1'],['COc1ccc([N+](=O)[O-])cc1OC1CCCC1>CCO.[Pd]>COc1ccc(N)cc1OC1CCCC1'],['COc1ccc([N+](=O)[O-])cc1OC1CCCC1']
91,"
Please design a two-step chemical reaction scheme to synthesize NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1 starting from O=[N+]([O-])c1cccc(S(=O)(=O)OC[C@H]2CO2)c1.
The reaction consists of two sequential steps: in the first step, O=[N+]([O-])c1cccc(S(=O)(=O)OC[C@H]2CO2)c1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1 starting from O=[N+]([O-])c1cccc(S(=O)(=O)OC[C@H]2CO2)c1.
The reaction consists of two sequential steps: in the first step, O=[N+]([O-])c1cccc(S(=O)(=O)OC[C@H]2CO2)c1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1 starting from O=[N+]([O-])c1cccc(S(=O)(=O)OC[C@H]2CO2)c1.
The reaction consists of two sequential steps: in the first step, O=[N+]([O-])c1cccc(S(=O)(=O)OC[C@H]2CO2)c1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1.
Please provide a possible SMILES representation of the intermediate product x.",['O=[N+]([O-])c1cccc(S(=O)(=O)OC[C@H]2CO2)c1.Clc1ccc(OC2CCNCC2)cc1Cl.[N-]=[N+]=[N-].[Na+]>CN(C)C=O.CCN(CC)CC>[N-]=[N+]=NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1'],['[N-]=[N+]=NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1>C1CCOC1.c1ccc(P(c2ccccc2)c2ccccc2)cc1>NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1'],['[N-]=[N+]=NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1']
92,"
Please design a two-step chemical reaction scheme to synthesize C=CC(=O)N1CC[C@H](Oc2nc(-c3n[nH]c(=O)[nH]3)cc3ccc(Cl)cc23)C1 starting from CC(C)(C)OC(=O)N1CC[C@H](Oc2nc(-c3n[nH]c(=O)[nH]3)cc3ccc(Cl)cc23)C1.
The reaction consists of two sequential steps: in the first step, CC(C)(C)OC(=O)N1CC[C@H](Oc2nc(-c3n[nH]c(=O)[nH]3)cc3ccc(Cl)cc23)C1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product C=CC(=O)N1CC[C@H](Oc2nc(-c3n[nH]c(=O)[nH]3)cc3ccc(Cl)cc23)C1.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize C=CC(=O)N1CC[C@H](Oc2nc(-c3n[nH]c(=O)[nH]3)cc3ccc(Cl)cc23)C1 starting from CC(C)(C)OC(=O)N1CC[C@H](Oc2nc(-c3n[nH]c(=O)[nH]3)cc3ccc(Cl)cc23)C1.
The reaction consists of two sequential steps: in the first step, CC(C)(C)OC(=O)N1CC[C@H](Oc2nc(-c3n[nH]c(=O)[nH]3)cc3ccc(Cl)cc23)C1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product C=CC(=O)N1CC[C@H](Oc2nc(-c3n[nH]c(=O)[nH]3)cc3ccc(Cl)cc23)C1.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize C=CC(=O)N1CC[C@H](Oc2nc(-c3n[nH]c(=O)[nH]3)cc3ccc(Cl)cc23)C1 starting from CC(C)(C)OC(=O)N1CC[C@H](Oc2nc(-c3n[nH]c(=O)[nH]3)cc3ccc(Cl)cc23)C1.
The reaction consists of two sequential steps: in the first step, CC(C)(C)OC(=O)N1CC[C@H](Oc2nc(-c3n[nH]c(=O)[nH]3)cc3ccc(Cl)cc23)C1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product C=CC(=O)N1CC[C@H](Oc2nc(-c3n[nH]c(=O)[nH]3)cc3ccc(Cl)cc23)C1.
Please provide a possible SMILES representation of the intermediate product x.",['CC(C)(C)OC(=O)N1CC[C@H](Oc2nc(-c3n[nH]c(=O)[nH]3)cc3ccc(Cl)cc23)C1>CCOC(C)=O.Cl>O=c1[nH]nc(-c2cc3ccc(Cl)cc3c(O[C@H]3CCNC3)n2)[nH]1'],['O=c1[nH]nc(-c2cc3ccc(Cl)cc3c(O[C@H]3CCNC3)n2)[nH]1.C=CC(=O)Cl>ClCCl.Cc1cccc(C)n1>C=CC(=O)N1CC[C@H](Oc2nc(-c3n[nH]c(=O)[nH]3)cc3ccc(Cl)cc23)C1'],['O=c1[nH]nc(-c2cc3ccc(Cl)cc3c(O[C@H]3CCNC3)n2)[nH]1']
93,"
Please design a two-step chemical reaction scheme to synthesize C=Cc1ccc2ccc([C@]3(OC)C[C@@H](C(=O)OC)N(C(=O)OCC[Si](C)(C)C)C3)cc2c1 starting from COC(=O)[C@@H]1CC(=O)CN1C(=O)OCC[Si](C)(C)C.
The reaction consists of two sequential steps: in the first step, COC(=O)[C@@H]1CC(=O)CN1C(=O)OCC[Si](C)(C)C undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product C=Cc1ccc2ccc([C@]3(OC)C[C@@H](C(=O)OC)N(C(=O)OCC[Si](C)(C)C)C3)cc2c1.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize C=Cc1ccc2ccc([C@]3(OC)C[C@@H](C(=O)OC)N(C(=O)OCC[Si](C)(C)C)C3)cc2c1 starting from COC(=O)[C@@H]1CC(=O)CN1C(=O)OCC[Si](C)(C)C.
The reaction consists of two sequential steps: in the first step, COC(=O)[C@@H]1CC(=O)CN1C(=O)OCC[Si](C)(C)C undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product C=Cc1ccc2ccc([C@]3(OC)C[C@@H](C(=O)OC)N(C(=O)OCC[Si](C)(C)C)C3)cc2c1.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize C=Cc1ccc2ccc([C@]3(OC)C[C@@H](C(=O)OC)N(C(=O)OCC[Si](C)(C)C)C3)cc2c1 starting from COC(=O)[C@@H]1CC(=O)CN1C(=O)OCC[Si](C)(C)C.
The reaction consists of two sequential steps: in the first step, COC(=O)[C@@H]1CC(=O)CN1C(=O)OCC[Si](C)(C)C undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product C=Cc1ccc2ccc([C@]3(OC)C[C@@H](C(=O)OC)N(C(=O)OCC[Si](C)(C)C)C3)cc2c1.
Please provide a possible SMILES representation of the intermediate product x.",['[Mg].C=Cc1ccc2ccc(Br)cc2c1.COC(=O)[C@@H]1CC(=O)CN1C(=O)OCC[Si](C)(C)C>C1CCOC1.ClCCl>C=Cc1ccc2ccc([C@]3(O)C[C@@H](C(=O)OC)N(C(=O)OCC[Si](C)(C)C)C3)cc2c1'],['C=Cc1ccc2ccc([C@]3(O)C[C@@H](C(=O)OC)N(C(=O)OCC[Si](C)(C)C)C3)cc2c1.CI>CN(C)C=O.[H-].[Na+]>C=Cc1ccc2ccc([C@]3(OC)C[C@@H](C(=O)OC)N(C(=O)OCC[Si](C)(C)C)C3)cc2c1'],['C=Cc1ccc2ccc([C@]3(O)C[C@@H](C(=O)OC)N(C(=O)OCC[Si](C)(C)C)C3)cc2c1']
94,"
Please design a two-step chemical reaction scheme to synthesize COc1nc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3scnc3c2)ccc1N1CCN(C(=O)OC(C)(C)C)CC1 starting from COc1nc(Cl)ccc1Br.
The reaction consists of two sequential steps: in the first step, COc1nc(Cl)ccc1Br undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product COc1nc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3scnc3c2)ccc1N1CCN(C(=O)OC(C)(C)C)CC1.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize COc1nc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3scnc3c2)ccc1N1CCN(C(=O)OC(C)(C)C)CC1 starting from COc1nc(Cl)ccc1Br.
The reaction consists of two sequential steps: in the first step, COc1nc(Cl)ccc1Br undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product COc1nc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3scnc3c2)ccc1N1CCN(C(=O)OC(C)(C)C)CC1.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize COc1nc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3scnc3c2)ccc1N1CCN(C(=O)OC(C)(C)C)CC1 starting from COc1nc(Cl)ccc1Br.
The reaction consists of two sequential steps: in the first step, COc1nc(Cl)ccc1Br undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product COc1nc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3scnc3c2)ccc1N1CCN(C(=O)OC(C)(C)C)CC1.
Please provide a possible SMILES representation of the intermediate product x.",['COc1nc(Cl)ccc1Br.CC(C)(C)OC(=O)N1CCNCC1>Cc1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[Pd].[Pd].CC(C)(C)[O-].[Na+].CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21>COc1nc(Cl)ccc1N1CCN(C(=O)OC(C)(C)C)CC1'],['C[C@@H](Oc1cc(B2OC(C)(C)C(C)(C)O2)cc2ncsc12)[C@H]1CNC(=O)C1.COc1nc(Cl)ccc1N1CCN(C(=O)OC(C)(C)C)CC1>C1COCCO1.CN(C)c1ccc(P(C(C)(C)C)C(C)(C)C)cc1.CN(C)c1ccc(P(C(C)(C)C)C(C)(C)C)cc1.Cl[Pd]Cl.O=P([O-])([O-])[O-].[K+].[K+].[K+].O>COc1nc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3scnc3c2)ccc1N1CCN(C(=O)OC(C)(C)C)CC1'],['COc1nc(Cl)ccc1N1CCN(C(=O)OC(C)(C)C)CC1']
95,"
Please design a two-step chemical reaction scheme to synthesize 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 starting from CC(C)(C)OC(=O)N1CCC(S(C)(=O)=O)CC1.
The reaction consists of two sequential steps: in the first step, CC(C)(C)OC(=O)N1CCC(S(C)(=O)=O)CC1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product 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.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize 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 starting from CC(C)(C)OC(=O)N1CCC(S(C)(=O)=O)CC1.
The reaction consists of two sequential steps: in the first step, CC(C)(C)OC(=O)N1CCC(S(C)(=O)=O)CC1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product 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.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize 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 starting from CC(C)(C)OC(=O)N1CCC(S(C)(=O)=O)CC1.
The reaction consists of two sequential steps: in the first step, CC(C)(C)OC(=O)N1CCC(S(C)(=O)=O)CC1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product 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.
Please provide a possible SMILES representation of the intermediate product x.",['CC(C)(C)OC(=O)N1CCC(S(C)(=O)=O)CC1>CCOC(C)=O.Cl.C1COCCO1>CS(=O)(=O)C1CCNCC1'],['C=C(C)[C@@H]1CC[C@]2(N3CC3)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.CS(=O)(=O)C1CCNCC1>C1COCCO1.CCN(C(C)C)C(C)C>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'],['CS(=O)(=O)C1CCNCC1']
96,"
Please design a two-step chemical reaction scheme to synthesize 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 starting from COC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C.
The reaction consists of two sequential steps: in the first step, COC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product 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.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize 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 starting from COC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C.
The reaction consists of two sequential steps: in the first step, COC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product 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.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize 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 starting from COC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C.
The reaction consists of two sequential steps: in the first step, COC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product 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.
Please provide a possible SMILES representation of the intermediate product x.",['COC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C>CO.O.[K+].[OH-].Cl>C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)O'],['C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)O.O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F>ClCCl.Cc1cc(C(C)(C)C)nc(C(C)(C)C)c1>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'],['C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)O']
97,"
Please design a two-step chemical reaction scheme to synthesize c1ccc(-c2cnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)cc1 starting from Ic1cn[nH]c1.
The reaction consists of two sequential steps: in the first step, Ic1cn[nH]c1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product c1ccc(-c2cnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)cc1.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize c1ccc(-c2cnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)cc1 starting from Ic1cn[nH]c1.
The reaction consists of two sequential steps: in the first step, Ic1cn[nH]c1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product c1ccc(-c2cnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)cc1.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize c1ccc(-c2cnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)cc1 starting from Ic1cn[nH]c1.
The reaction consists of two sequential steps: in the first step, Ic1cn[nH]c1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product c1ccc(-c2cnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)cc1.
Please provide a possible SMILES representation of the intermediate product x.",['ClC(c1ccccc1)(c1ccccc1)c1ccccc1.Ic1cn[nH]c1>ClCCl.CCN(CC)CC.O>Ic1cnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1'],['Ic1cnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1.OB(O)c1ccccc1>Cc1ccccc1.O.O.c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.O=C([O-])[O-].[Na+].[Na+]>c1ccc(-c2cnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)cc1'],['Ic1cnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1']
98,"
Please design a two-step chemical reaction scheme to synthesize COC(=O)Cc1ccc([C@H](C)N2CC[C@](CCCOCc3ccc(OC)cc3)(c3ccccc3)OC2=O)cc1 starting from COc1ccc(COCCC[C@]2(c3ccccc3)CCN([C@@H](C)c3ccc(CCO)cc3)C(=O)O2)cc1.
The reaction consists of two sequential steps: in the first step, COc1ccc(COCCC[C@]2(c3ccccc3)CCN([C@@H](C)c3ccc(CCO)cc3)C(=O)O2)cc1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product COC(=O)Cc1ccc([C@H](C)N2CC[C@](CCCOCc3ccc(OC)cc3)(c3ccccc3)OC2=O)cc1.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize COC(=O)Cc1ccc([C@H](C)N2CC[C@](CCCOCc3ccc(OC)cc3)(c3ccccc3)OC2=O)cc1 starting from COc1ccc(COCCC[C@]2(c3ccccc3)CCN([C@@H](C)c3ccc(CCO)cc3)C(=O)O2)cc1.
The reaction consists of two sequential steps: in the first step, COc1ccc(COCCC[C@]2(c3ccccc3)CCN([C@@H](C)c3ccc(CCO)cc3)C(=O)O2)cc1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product COC(=O)Cc1ccc([C@H](C)N2CC[C@](CCCOCc3ccc(OC)cc3)(c3ccccc3)OC2=O)cc1.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize COC(=O)Cc1ccc([C@H](C)N2CC[C@](CCCOCc3ccc(OC)cc3)(c3ccccc3)OC2=O)cc1 starting from COc1ccc(COCCC[C@]2(c3ccccc3)CCN([C@@H](C)c3ccc(CCO)cc3)C(=O)O2)cc1.
The reaction consists of two sequential steps: in the first step, COc1ccc(COCCC[C@]2(c3ccccc3)CCN([C@@H](C)c3ccc(CCO)cc3)C(=O)O2)cc1 undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product COC(=O)Cc1ccc([C@H](C)N2CC[C@](CCCOCc3ccc(OC)cc3)(c3ccccc3)OC2=O)cc1.
Please provide a possible SMILES representation of the intermediate product x.",['COc1ccc(COCCC[C@]2(c3ccccc3)CCN([C@@H](C)c3ccc(CCO)cc3)C(=O)O2)cc1.CC(C)=O.O=S(=O)(O)O.O=[Cr](=O)=O>CC(C)=O>COc1ccc(COCCC[C@]2(c3ccccc3)CCN([C@@H](C)c3ccc(CC(=O)O)cc3)C(=O)O2)cc1'],['COc1ccc(COCCC[C@]2(c3ccccc3)CCN([C@@H](C)c3ccc(CC(=O)O)cc3)C(=O)O2)cc1.CI>CN(C)C=O.O=C([O-])[O-].[K+].[K+]>COC(=O)Cc1ccc([C@H](C)N2CC[C@](CCCOCc3ccc(OC)cc3)(c3ccccc3)OC2=O)cc1'],['COc1ccc(COCCC[C@]2(c3ccccc3)CCN([C@@H](C)c3ccc(CC(=O)O)cc3)C(=O)O2)cc1']
99,"
Please design a two-step chemical reaction scheme to synthesize CCCCCCCCCC(=O)Oc1ccc(C(=O)Oc2ccc(C(=O)OC(CCCCCCCC)C(F)(F)F)cc2)cc1 starting from CCCCCCCCCC(=O)Cl.
The reaction consists of two sequential steps: in the first step, CCCCCCCCCC(=O)Cl undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CCCCCCCCCC(=O)Oc1ccc(C(=O)Oc2ccc(C(=O)OC(CCCCCCCC)C(F)(F)F)cc2)cc1.
Please provide a possible SMILES representation of the intermediate product x.
No explanations and other information. Only return the SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CCCCCCCCCC(=O)Oc1ccc(C(=O)Oc2ccc(C(=O)OC(CCCCCCCC)C(F)(F)F)cc2)cc1 starting from CCCCCCCCCC(=O)Cl.
The reaction consists of two sequential steps: in the first step, CCCCCCCCCC(=O)Cl undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CCCCCCCCCC(=O)Oc1ccc(C(=O)Oc2ccc(C(=O)OC(CCCCCCCC)C(F)(F)F)cc2)cc1.
Please provide a possible SMILES representation of the intermediate product x.
Think step by step, and format the final answer as SMILES of x. ","
Please design a two-step chemical reaction scheme to synthesize CCCCCCCCCC(=O)Oc1ccc(C(=O)Oc2ccc(C(=O)OC(CCCCCCCC)C(F)(F)F)cc2)cc1 starting from CCCCCCCCCC(=O)Cl.
The reaction consists of two sequential steps: in the first step, CCCCCCCCCC(=O)Cl undergoes a complete chemical reaction to produce an intermediate product x.
In the second step, x is used as a reactant to obtain the final product CCCCCCCCCC(=O)Oc1ccc(C(=O)Oc2ccc(C(=O)OC(CCCCCCCC)C(F)(F)F)cc2)cc1.
Please provide a possible SMILES representation of the intermediate product x.",['CCCCCCCCCC(=O)Cl.O=C(O)c1ccc(O)cc1>Cc1ccccc1C>CCCCCCCCCC(=O)Oc1ccc(C(=O)O)cc1'],['CCCCCCCCCC(=O)Oc1ccc(C(=O)O)cc1.CCCCCCCCC(OC(=O)c1ccc(O)cc1)C(F)(F)F>C1CCOC1>CCCCCCCCCC(=O)Oc1ccc(C(=O)Oc2ccc(C(=O)OC(CCCCCCCC)C(F)(F)F)cc2)cc1'],['CCCCCCCCCC(=O)Oc1ccc(C(=O)O)cc1']