new_pattern_5.csv

ID,Question_std,Question_cot,Question_chem,A,B,Answer
0,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>Oc1ccc(Br)cc1Cl</SMILES> Target product B: <SMILES>FC(F)Oc1ccc(Br)cc1Cl</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>Oc1ccc(Br)cc1Cl</SMILES> Target product B: <SMILES>FC(F)Oc1ccc(Br)cc1Cl</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>Oc1ccc(Br)cc1Cl</SMILES> Target product B: <SMILES>FC(F)Oc1ccc(Br)cc1Cl</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",Oc1ccc(Br)cc1Cl,FC(F)Oc1ccc(Br)cc1Cl,"['O=C(O)C(F)(F)Cl.Oc1ccc(Br)cc1Cl', 'O=C(c1ccccc1)C(F)(F)Cl.Oc1ccc(Br)cc1Cl', 'O=C([O-])C(F)(F)Cl.Oc1ccc(Br)cc1Cl.[Na+]']"
1,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>O=C1NC(=O)c2ccccc21.[K]</SMILES> Target product B: <SMILES>O=C1c2ccccc2C(=O)N1CCOc1cc(Cl)cc(Cl)c1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>O=C1NC(=O)c2ccccc21.[K]</SMILES> Target product B: <SMILES>O=C1c2ccccc2C(=O)N1CCOc1cc(Cl)cc(Cl)c1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>O=C1NC(=O)c2ccccc21.[K]</SMILES> Target product B: <SMILES>O=C1c2ccccc2C(=O)N1CCOc1cc(Cl)cc(Cl)c1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",O=C1NC(=O)c2ccccc21.[K],O=C1c2ccccc2C(=O)N1CCOc1cc(Cl)cc(Cl)c1,"['Clc1cc(Cl)cc(OCCBr)c1.O=C1NC(=O)c2ccccc21.[K]', 'Clc1cc(Cl)c(CCBr)c(Oc2cc(Cl)cc(Cl)c2CCBr)c1.O=C1NC(=O)c2ccccc21.[K]']"
2,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>Oc1ccc(Br)cc1Cl</SMILES> Target product B: <SMILES>FC(F)Oc1ccc(Br)cc1Cl</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>Oc1ccc(Br)cc1Cl</SMILES> Target product B: <SMILES>FC(F)Oc1ccc(Br)cc1Cl</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>Oc1ccc(Br)cc1Cl</SMILES> Target product B: <SMILES>FC(F)Oc1ccc(Br)cc1Cl</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",Oc1ccc(Br)cc1Cl,FC(F)Oc1ccc(Br)cc1Cl,"['O=C(O)C(F)(F)Cl.Oc1ccc(Br)cc1Cl', 'O=C([O-])C(F)(F)Cl.Oc1ccc(Br)cc1Cl.[Na+]', 'O=C(c1ccccc1)C(F)(F)Cl.Oc1ccc(Br)cc1Cl']"
3,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>C1COCCN1</SMILES> Target product B: <SMILES>O=C(c1cccc([N+](=O)[O-])c1)N1CCOCC1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>C1COCCN1</SMILES> Target product B: <SMILES>O=C(c1cccc([N+](=O)[O-])c1)N1CCOCC1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>C1COCCN1</SMILES> Target product B: <SMILES>O=C(c1cccc([N+](=O)[O-])c1)N1CCOCC1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",C1COCCN1,O=C(c1cccc([N+](=O)[O-])c1)N1CCOCC1,"['C1COCCN1.O=[N+]([O-])c1cccc(I)c1.[C-]#[O+]', 'C1COCCN1.O=[N+]([O-])c1cccc(CO)c1', 'C1COCCN1.O=Cc1cccc([N+](=O)[O-])c1', 'C1COCCN1.O=C(O)c1cccc([N+](=O)[O-])c1', 'C1COCCN1.O=C(Cl)c1cccc([N+](=O)[O-])c1']"
4,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>Oc1ccccc1</SMILES> Target product B: <SMILES>Oc1ccccc1O</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>Oc1ccccc1</SMILES> Target product B: <SMILES>Oc1ccccc1O</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>Oc1ccccc1</SMILES> Target product B: <SMILES>Oc1ccccc1O</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",Oc1ccccc1,Oc1ccccc1O,"['CC(=O)O.Oc1ccccc1', 'O=[N+]([O-])c1ccc(Cl)[n+]([O-])c1.Oc1ccccc1', 'C=O.Oc1ccccc1', 'O=[N+]([O-])c1cnc(Cl)nc1.Oc1ccccc1', 'CC(C)(C)[SiH](Cl)C(C)(C)C.Oc1ccccc1', 'O=C(c1ccccc1)c1ccc([N+](=O)[O-])cc1Cl.Oc1ccccc1', 'Brc1ccccn1.Oc1ccccc1', 'Oc1ccc(O)cc1.Oc1ccccc1', 'CC(=O)CC(C)=O.CC(=O)OO.Oc1ccccc1', 'CCC(C)(OO)OOC(C)(CC)OO.Oc1ccccc1']"
5,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>OCC1CCCNC1</SMILES> Target product B: <SMILES>CCN1CCCC(CO)C1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>OCC1CCCNC1</SMILES> Target product B: <SMILES>CCN1CCCC(CO)C1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>OCC1CCCNC1</SMILES> Target product B: <SMILES>CCN1CCCC(CO)C1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",OCC1CCCNC1,CCN1CCCC(CO)C1,"['CCBr.OCC1CCCNC1', 'CCI.OCC1CCCNC1']"
6,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>NCc1ccccc1</SMILES> Target product B: <SMILES>C1=CCN(Cc2ccccc2)C1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>NCc1ccccc1</SMILES> Target product B: <SMILES>C1=CCN(Cc2ccccc2)C1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>NCc1ccccc1</SMILES> Target product B: <SMILES>C1=CCN(Cc2ccccc2)C1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",NCc1ccccc1,C1=CCN(Cc2ccccc2)C1,"['ClCC=CCCl.NCc1ccccc1', 'CS(=O)(=O)OC/C=C\\COS(C)(=O)=O.NCc1ccccc1', 'C=CCO.NCc1ccccc1', 'NCc1ccccc1.O=C1C=CC(=O)O1', 'NCc1ccccc1.OC/C=C\\CO', 'C=CCBr.NCc1ccccc1', 'ClC/C=C\\CCl.NCc1ccccc1']"
7,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>BrCc1ccccc1</SMILES> Target product B: <SMILES>O=c1c(Cl)c(Cl)cnn1Cc1ccccc1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>BrCc1ccccc1</SMILES> Target product B: <SMILES>O=c1c(Cl)c(Cl)cnn1Cc1ccccc1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>BrCc1ccccc1</SMILES> Target product B: <SMILES>O=c1c(Cl)c(Cl)cnn1Cc1ccccc1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",BrCc1ccccc1,O=c1c(Cl)c(Cl)cnn1Cc1ccccc1,"['BrCc1ccccc1.Oc1nncc(Cl)c1Cl', 'BrCc1ccccc1.O=c1[nH]ncc(Cl)c1Cl']"
8,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>O=C1CCC(=O)N1Br</SMILES> Target product B: <SMILES>CC(Br)c1ccc(C#N)cn1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>O=C1CCC(=O)N1Br</SMILES> Target product B: <SMILES>CC(Br)c1ccc(C#N)cn1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>O=C1CCC(=O)N1Br</SMILES> Target product B: <SMILES>CC(Br)c1ccc(C#N)cn1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",O=C1CCC(=O)N1Br,CC(Br)c1ccc(C#N)cn1,"['CCc1ccc(C#N)cn1.O=C1CCC(=O)N1Br', 'CC(C)(C#N)N=NC(C)(C)C#N.CCc1ccc(Br)cn1.O=C1CCC(=O)N1Br']"
9,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>OC1CSC(O)CS1</SMILES> Target product B: <SMILES>CC(C)CC(C)C1SCC(O)C1[N+](=O)[O-]</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>OC1CSC(O)CS1</SMILES> Target product B: <SMILES>CC(C)CC(C)C1SCC(O)C1[N+](=O)[O-]</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>OC1CSC(O)CS1</SMILES> Target product B: <SMILES>CC(C)CC(C)C1SCC(O)C1[N+](=O)[O-]</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",OC1CSC(O)CS1,CC(C)CC(C)C1SCC(O)C1[N+](=O)[O-],"['CC(C)CC(C)C(Cl)C[N+](=O)[O-].OC1CSC(O)CS1', 'CC(C)CC(C)C=C[N+](=O)[O-].OC1CSC(O)CS1', 'CC(=O)OC(C[N+](=O)[O-])C(C)CC(C)C.OC1CSC(O)CS1']"
10,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>Nc1ccc(Cl)nc1N</SMILES> Target product B: <SMILES>O=C(c1ccccc1)c1ccc(-c2nc3ccc(Cl)nc3[nH]2)cc1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>Nc1ccc(Cl)nc1N</SMILES> Target product B: <SMILES>O=C(c1ccccc1)c1ccc(-c2nc3ccc(Cl)nc3[nH]2)cc1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>Nc1ccc(Cl)nc1N</SMILES> Target product B: <SMILES>O=C(c1ccccc1)c1ccc(-c2nc3ccc(Cl)nc3[nH]2)cc1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",Nc1ccc(Cl)nc1N,O=C(c1ccccc1)c1ccc(-c2nc3ccc(Cl)nc3[nH]2)cc1,"['CC(=O)OI(OC(C)=O)c1ccccc1.Nc1ccc(Cl)nc1N.O=Cc1ccc(OCc2ccccc2)cc1', 'Nc1ccc(Cl)nc1N.O=C(O)c1ccc(C(=O)c2ccccc2)cc1']"
11,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>O=C1CCN(C(=O)OCc2ccccc2)CC1</SMILES> Target product B: <SMILES>COC(=O)C=C1CCN(C(=O)OCc2ccccc2)CC1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>O=C1CCN(C(=O)OCc2ccccc2)CC1</SMILES> Target product B: <SMILES>COC(=O)C=C1CCN(C(=O)OCc2ccccc2)CC1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>O=C1CCN(C(=O)OCc2ccccc2)CC1</SMILES> Target product B: <SMILES>COC(=O)C=C1CCN(C(=O)OCc2ccccc2)CC1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",O=C1CCN(C(=O)OCc2ccccc2)CC1,COC(=O)C=C1CCN(C(=O)OCc2ccccc2)CC1,"['COC(=O)CP(=O)(OC)OC.O=C1CCN(C(=O)OCc2ccccc2)CC1', 'COC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.O=C1CCN(C(=O)OCc2ccccc2)CC1', 'COC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1.O=C1CCN(C(=O)OCc2ccccc2)CC1', 'COP(=O)(O)C(C)(C)C(=O)[O-].O=C1CCN(C(=O)OCc2ccccc2)CC1']"
12,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CNOC.Cl</SMILES> Target product B: <SMILES>CON(C)C(=O)C1CCOCC1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CNOC.Cl</SMILES> Target product B: <SMILES>CON(C)C(=O)C1CCOCC1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CNOC.Cl</SMILES> Target product B: <SMILES>CON(C)C(=O)C1CCOCC1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",CNOC.Cl,CON(C)C(=O)C1CCOCC1,"['CNOC.COC(=O)C1CCOCC1.Cl', 'CNOC.Cl.O=C(O)C1CCOCC1', 'CNOC.Cl.O=C(Cl)C1CCOCC1']"
13,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>NCc1ncc(Nc2c(F)cccc2C(F)(F)F)cc1F</SMILES> Target product B: <SMILES>CC(C)(C)OC(=O)NC1(C(=O)NCc2ncc(Nc3c(F)cccc3C(F)(F)F)cc2F)CC1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>NCc1ncc(Nc2c(F)cccc2C(F)(F)F)cc1F</SMILES> Target product B: <SMILES>CC(C)(C)OC(=O)NC1(C(=O)NCc2ncc(Nc3c(F)cccc3C(F)(F)F)cc2F)CC1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>NCc1ncc(Nc2c(F)cccc2C(F)(F)F)cc1F</SMILES> Target product B: <SMILES>CC(C)(C)OC(=O)NC1(C(=O)NCc2ncc(Nc3c(F)cccc3C(F)(F)F)cc2F)CC1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",NCc1ncc(Nc2c(F)cccc2C(F)(F)F)cc1F,CC(C)(C)OC(=O)NC1(C(=O)NCc2ncc(Nc3c(F)cccc3C(F)(F)F)cc2F)CC1,"['CC(C)(C)OC(=O)NC1(C(N)=O)CC1.NCc1ncc(Nc2c(F)cccc2C(F)(F)F)cc1F', 'CC(C)(C)OC(=O)NC1(C(=O)O)CC1.NCc1ncc(Nc2c(F)cccc2C(F)(F)F)cc1F']"
14,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>COc1ccc(Cn2c(=O)n3ncnc3c3cc(Br)cnc32)cc1</SMILES> Target product B: <SMILES>C=Cc1cnc2c(c1)c1ncnn1c(=O)n2Cc1ccc(OC)cc1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>COc1ccc(Cn2c(=O)n3ncnc3c3cc(Br)cnc32)cc1</SMILES> Target product B: <SMILES>C=Cc1cnc2c(c1)c1ncnn1c(=O)n2Cc1ccc(OC)cc1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>COc1ccc(Cn2c(=O)n3ncnc3c3cc(Br)cnc32)cc1</SMILES> Target product B: <SMILES>C=Cc1cnc2c(c1)c1ncnn1c(=O)n2Cc1ccc(OC)cc1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",COc1ccc(Cn2c(=O)n3ncnc3c3cc(Br)cnc32)cc1,C=Cc1cnc2c(c1)c1ncnn1c(=O)n2Cc1ccc(OC)cc1,"['C=C[Sn](CCCC)(CCCC)CCCC.COc1ccc(Cn2c(=O)n3ncnc3c3cc(Br)cnc32)cc1', 'C=C[B-](F)(F)F.COc1ccc(Cn2c(=O)n3ncnc3c3cc(Br)cnc32)cc1.[K+]', 'COc1ccc(B(O)O)cc1OC.COc1ccc(Cn2c(=O)n3ncnc3c3cc(Br)cnc32)cc1']"
15,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>NCCCC(=O)O</SMILES> Target product B: <SMILES>O=C(O)CCCN1C(=O)c2ccccc2C1=O</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>NCCCC(=O)O</SMILES> Target product B: <SMILES>O=C(O)CCCN1C(=O)c2ccccc2C1=O</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>NCCCC(=O)O</SMILES> Target product B: <SMILES>O=C(O)CCCN1C(=O)c2ccccc2C1=O</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",NCCCC(=O)O,O=C(O)CCCN1C(=O)c2ccccc2C1=O,"['NCCCC(=O)O.O=C(O)c1ccccc1C(=O)O', 'NCCCC(=O)O.O=C1NC(=O)c2ccccc21', 'COP(=O)(OC)C1(Cl)OC(=O)c2ccccc21.NCCCC(=O)O', 'NCCCC(=O)O.O=C1OC(=O)c2ccccc21', 'CCOC(=O)N1C(=O)c2ccccc2C1=O.NCCCC(=O)O']"
16,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CCOC(=O)C=[N+]=[N-]</SMILES> Target product B: <SMILES>CCOC(=O)C1CCN(C(=O)OCc2ccccc2)CCC1=O</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CCOC(=O)C=[N+]=[N-]</SMILES> Target product B: <SMILES>CCOC(=O)C1CCN(C(=O)OCc2ccccc2)CCC1=O</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CCOC(=O)C=[N+]=[N-]</SMILES> Target product B: <SMILES>CCOC(=O)C1CCN(C(=O)OCc2ccccc2)CCC1=O</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",CCOC(=O)C=[N+]=[N-],CCOC(=O)C1CCN(C(=O)OCc2ccccc2)CCC1=O,"['CCOC(=O)C=[N+]=[N-].O=C1CCN(C(=O)OCc2ccccc2)CC1', 'CCOC(=O)C=[N+]=[N-].CCOCC.FB(F)F.O=C(OCc1ccccc1)N1CC[N+](=O)CC1.O=C([O-])[O-].[K+].[K+]']"
17,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CC(=O)N1CCN(c2ccc(N)cc2)CC1</SMILES> Target product B: <SMILES>CC(=O)N1CCN(c2ccc(Nc3nc(Nc4ccc5cn[nH]c5c4)c4c(C)cn(S(=O)(=O)c5ccc(C)cc5)c4n3)cc2)CC1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CC(=O)N1CCN(c2ccc(N)cc2)CC1</SMILES> Target product B: <SMILES>CC(=O)N1CCN(c2ccc(Nc3nc(Nc4ccc5cn[nH]c5c4)c4c(C)cn(S(=O)(=O)c5ccc(C)cc5)c4n3)cc2)CC1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CC(=O)N1CCN(c2ccc(N)cc2)CC1</SMILES> Target product B: <SMILES>CC(=O)N1CCN(c2ccc(Nc3nc(Nc4ccc5cn[nH]c5c4)c4c(C)cn(S(=O)(=O)c5ccc(C)cc5)c4n3)cc2)CC1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",CC(=O)N1CCN(c2ccc(N)cc2)CC1,CC(=O)N1CCN(c2ccc(Nc3nc(Nc4ccc5cn[nH]c5c4)c4c(C)cn(S(=O)(=O)c5ccc(C)cc5)c4n3)cc2)CC1,"['CC(=O)N1CCN(c2ccc(N)cc2)CC1.Cc1ccc(S(=O)(=O)n2cc(C)c3c(Nc4ccc5cn[nH]c5c4)nc(Cl)nc32)cc1', 'CC(=O)N1CCN(c2ccc(N)cc2)CC1.CCc1cn(S(=O)(=O)c2ccc(C)cc2)c2nc(Cl)nc(Nc3ccc4cn[nH]c4c3)c12']"
18,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CC(C)(C)OC(=O)C1CCN(c2c(N)cncc2F)CC1</SMILES> Target product B: <SMILES>CC(C)(C)OC(=O)C1CCN(c2c(F)cncc2NC(=O)c2c(N)nn3cc(F)cnc23)CC1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CC(C)(C)OC(=O)C1CCN(c2c(N)cncc2F)CC1</SMILES> Target product B: <SMILES>CC(C)(C)OC(=O)C1CCN(c2c(F)cncc2NC(=O)c2c(N)nn3cc(F)cnc23)CC1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CC(C)(C)OC(=O)C1CCN(c2c(N)cncc2F)CC1</SMILES> Target product B: <SMILES>CC(C)(C)OC(=O)C1CCN(c2c(F)cncc2NC(=O)c2c(N)nn3cc(F)cnc23)CC1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",CC(C)(C)OC(=O)C1CCN(c2c(N)cncc2F)CC1,CC(C)(C)OC(=O)C1CCN(c2c(F)cncc2NC(=O)c2c(N)nn3cc(F)cnc23)CC1,"['CC(C)(C)OC(=O)C1CCN(c2c(N)cncc2F)CC1.Nc1nn2cc(F)cnc2c1C(=O)Cl', 'CC(C)(C)OC(=O)C1CCN(c2c(N)cncc2F)CC1.Nc1nn2cc(F)cnc2c1C(=O)On1nnc2ccc(Cl)cc21']"
19,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>c1ccc(P(c2ccccc2)c2ccccc2)cc1</SMILES> Target product B: <SMILES>ClP(c1ccccc1)c1ccccc1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>c1ccc(P(c2ccccc2)c2ccccc2)cc1</SMILES> Target product B: <SMILES>ClP(c1ccccc1)c1ccccc1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>c1ccc(P(c2ccccc2)c2ccccc2)cc1</SMILES> Target product B: <SMILES>ClP(c1ccccc1)c1ccccc1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",c1ccc(P(c2ccccc2)c2ccccc2)cc1,ClP(c1ccccc1)c1ccccc1,"['ClP(Cl)Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1', 'ClP(Cl)c1ccccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1', 'Clc1ccccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1']"
20,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F</SMILES> Target product B: <SMILES>CC(C)(C)OC(=O)N1CCc2cccc(OS(=O)(=O)C(F)(F)F)c2CC1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F</SMILES> Target product B: <SMILES>CC(C)(C)OC(=O)N1CCc2cccc(OS(=O)(=O)C(F)(F)F)c2CC1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F</SMILES> Target product B: <SMILES>CC(C)(C)OC(=O)N1CCc2cccc(OS(=O)(=O)C(F)(F)F)c2CC1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F,CC(C)(C)OC(=O)N1CCc2cccc(OS(=O)(=O)C(F)(F)F)c2CC1,"['CC(C)(C)OC(=O)N1CCc2cccc(O)c2CC1.O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F', 'CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.O=C(N1CCc2cccc(O)c2CC1)C(F)(F)F.O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F']"
21,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CCOC(=O)C(=O)CBr</SMILES> Target product B: <SMILES>CCOC(=O)c1csc(C(F)(F)F)n1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CCOC(=O)C(=O)CBr</SMILES> Target product B: <SMILES>CCOC(=O)c1csc(C(F)(F)F)n1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CCOC(=O)C(=O)CBr</SMILES> Target product B: <SMILES>CCOC(=O)c1csc(C(F)(F)F)n1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",CCOC(=O)C(=O)CBr,CCOC(=O)c1csc(C(F)(F)F)n1,"['CCOC(=O)C(=O)CBr.NC(=O)C(F)(F)F', 'CCOC(=O)C(=O)CBr.NC(=S)C(F)(F)F', 'CCNC(=S)C(F)(F)F.CCOC(=O)C(=O)CBr', 'CCOC(=O)C(=O)CBr.COc1ccc(P2(=S)SP(=S)(c3ccc(OC)cc3)S2)cc1.NC(=O)C(F)(F)F']"
22,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CC(C)(CN)C(=O)O.Cl</SMILES> Target product B: <SMILES>CC(C)(CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CC(C)(CN)C(=O)O.Cl</SMILES> Target product B: <SMILES>CC(C)(CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CC(C)(CN)C(=O)O.Cl</SMILES> Target product B: <SMILES>CC(C)(CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",CC(C)(CN)C(=O)O.Cl,CC(C)(CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O,"['CC(C)(CN)C(=O)O.Cl.O=C(Cl)OCC1c2ccccc2-c2ccccc21', 'CC(C)(CN)C(=O)O.Cl.O=C(OCC1c2ccccc2-c2ccccc21)ON1C(=O)CCC1=O']"
23,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>NCCN</SMILES> Target product B: <SMILES>CCOC(=O)c1ccc(C2=NCCN2)cc1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>NCCN</SMILES> Target product B: <SMILES>CCOC(=O)c1ccc(C2=NCCN2)cc1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>NCCN</SMILES> Target product B: <SMILES>CCOC(=O)c1ccc(C2=NCCN2)cc1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",NCCN,CCOC(=O)c1ccc(C2=NCCN2)cc1,"['CCOC(=N)c1ccc(C(=O)OCC)cc1.Cl.NCCN', 'CCON=Cc1ccc(C(=O)OCC)cc1.Cl.NCCN']"
24,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>O=C(O)c1c(F)cc(F)c(F)c1F</SMILES> Target product B: <SMILES>CC(C)(C)OC(=O)c1c(F)cc(F)c(F)c1F</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>O=C(O)c1c(F)cc(F)c(F)c1F</SMILES> Target product B: <SMILES>CC(C)(C)OC(=O)c1c(F)cc(F)c(F)c1F</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>O=C(O)c1c(F)cc(F)c(F)c1F</SMILES> Target product B: <SMILES>CC(C)(C)OC(=O)c1c(F)cc(F)c(F)c1F</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",O=C(O)c1c(F)cc(F)c(F)c1F,CC(C)(C)OC(=O)c1c(F)cc(F)c(F)c1F,"['CC(C)(C)OC(=O)OC(C)(C)C.O=C(O)c1c(F)cc(F)c(F)c1F', 'CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.O=C(O)c1c(F)cc(F)c(F)c1F']"
25,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>Nc1ccccc1</SMILES> Target product B: <SMILES>Cc1ccc(NC(=O)Nc2ccccc2)cc1[N+](=O)[O-]</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>Nc1ccccc1</SMILES> Target product B: <SMILES>Cc1ccc(NC(=O)Nc2ccccc2)cc1[N+](=O)[O-]</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>Nc1ccccc1</SMILES> Target product B: <SMILES>Cc1ccc(NC(=O)Nc2ccccc2)cc1[N+](=O)[O-]</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",Nc1ccccc1,Cc1ccc(NC(=O)Nc2ccccc2)cc1[N+](=O)[O-],"['Cc1ccc(N=C=O)cc1[N+](=O)[O-].Nc1ccccc1', 'Cc1ccc(N)cc1[N+](=O)[O-].Nc1ccccc1.O=C(OC(=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl']"
26,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>Oc1cccc(F)c1</SMILES> Target product B: <SMILES>CCOC(=O)COc1cccc(F)c1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>Oc1cccc(F)c1</SMILES> Target product B: <SMILES>CCOC(=O)COc1cccc(F)c1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>Oc1cccc(F)c1</SMILES> Target product B: <SMILES>CCOC(=O)COc1cccc(F)c1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",Oc1cccc(F)c1,CCOC(=O)COc1cccc(F)c1,"['CCOC(=O)CBr.Oc1cccc(F)c1', 'CCOC(=O)CCl.Oc1cccc(F)c1']"
27,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>Sc1ccccc1</SMILES> Target product B: <SMILES>O=C(O)C(Sc1ccccc1)c1cccs1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>Sc1ccccc1</SMILES> Target product B: <SMILES>O=C(O)C(Sc1ccccc1)c1cccs1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>Sc1ccccc1</SMILES> Target product B: <SMILES>O=C(O)C(Sc1ccccc1)c1cccs1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",Sc1ccccc1,O=C(O)C(Sc1ccccc1)c1cccs1,"['ClC(Cl)Cl.O=Cc1cccs1.Sc1ccccc1.[K+].[OH-]', 'OC(c1cccs1)C(Cl)(Cl)Cl.Sc1ccccc1.[K+].[OH-]']"
28,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>BrC1CCCC1</SMILES> Target product B: <SMILES>CCOC(=O)Nc1cc(OC2CCCC2)c(Cl)cc1F</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>BrC1CCCC1</SMILES> Target product B: <SMILES>CCOC(=O)Nc1cc(OC2CCCC2)c(Cl)cc1F</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>BrC1CCCC1</SMILES> Target product B: <SMILES>CCOC(=O)Nc1cc(OC2CCCC2)c(Cl)cc1F</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",BrC1CCCC1,CCOC(=O)Nc1cc(OC2CCCC2)c(Cl)cc1F,"['BrC1CCCC1.CCOC(=O)Nc1cc(OC(=O)OCC)c(Cl)cc1F', 'BrC1CCCC1.CCOC(=O)Nc1cc(OC(=O)OC)c(Cl)cc1F', 'BrC1CCCC1.CCOC(=O)Nc1cc(O)c(Cl)cc1F']"
29,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>O=[N+]([O-])c1ccc(O)cc1F</SMILES> Target product B: <SMILES>CC(C)(C)OC(=O)N1CCC(Oc2ccc([N+](=O)[O-])c(F)c2)CC1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>O=[N+]([O-])c1ccc(O)cc1F</SMILES> Target product B: <SMILES>CC(C)(C)OC(=O)N1CCC(Oc2ccc([N+](=O)[O-])c(F)c2)CC1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>O=[N+]([O-])c1ccc(O)cc1F</SMILES> Target product B: <SMILES>CC(C)(C)OC(=O)N1CCC(Oc2ccc([N+](=O)[O-])c(F)c2)CC1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",O=[N+]([O-])c1ccc(O)cc1F,CC(C)(C)OC(=O)N1CCC(Oc2ccc([N+](=O)[O-])c(F)c2)CC1,"['CC(C)(C)OC(=O)N1CCC(O)CC1.O=[N+]([O-])c1ccc(O)cc1F', 'Cc1ccc(S(=O)(=O)OC2CCN(C(=O)OC(C)(C)C)CC2)cc1.O=[N+]([O-])c1ccc(O)cc1F']"
30,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CCOC(=O)CC(C)=O</SMILES> Target product B: <SMILES>CCOC(=O)C(Cc1ccc(OC)cc1)C(C)=O</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CCOC(=O)CC(C)=O</SMILES> Target product B: <SMILES>CCOC(=O)C(Cc1ccc(OC)cc1)C(C)=O</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CCOC(=O)CC(C)=O</SMILES> Target product B: <SMILES>CCOC(=O)C(Cc1ccc(OC)cc1)C(C)=O</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",CCOC(=O)CC(C)=O,CCOC(=O)C(Cc1ccc(OC)cc1)C(C)=O,"['CCOC(=O)CC(C)=O.COc1ccc(COC(C)=O)cc1', 'CCOC(=O)CC(C)=O.COc1ccc(CBr)cc1', 'CCOC(=O)CC(C)=O.COc1ccc(CCl)cc1', 'CCOC(=O)CC(C)=O.COc1ccc(C=O)cc1']"
31,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>Nc1cc(Br)ccc1O</SMILES> Target product B: <SMILES>Brc1ccc2ocnc2c1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>Nc1cc(Br)ccc1O</SMILES> Target product B: <SMILES>Brc1ccc2ocnc2c1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>Nc1cc(Br)ccc1O</SMILES> Target product B: <SMILES>Brc1ccc2ocnc2c1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",Nc1cc(Br)ccc1O,Brc1ccc2ocnc2c1,"['Nc1cc(Br)ccc1O.O=C=O', 'Nc1cc(Br)ccc1O.[C-]#[N+]C(C)(C)C', 'FC(F)Cl.Nc1cc(Br)ccc1O', 'Nc1cc(Br)ccc1O.O=CO', 'CCOC(OCC)OCC.Nc1cc(Br)ccc1O', 'COC(OC)OC.Nc1cc(Br)ccc1O']"
32,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>NC(N)=S</SMILES> Target product B: <SMILES>CCOC(=O)c1nc(N)sc1C</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>NC(N)=S</SMILES> Target product B: <SMILES>CCOC(=O)c1nc(N)sc1C</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>NC(N)=S</SMILES> Target product B: <SMILES>CCOC(=O)c1nc(N)sc1C</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",NC(N)=S,CCOC(=O)c1nc(N)sc1C,"['CCOC(=O)C(=O)C(C)Cl.NC(N)=S', 'CCOC(=O)CC(C)=O.NC(N)=S', 'CC=O.CCOC(=O)C(Cl)Cl.NC(N)=S', 'CCOC(=O)C(O)CC.NC(N)=S', 'CCOC(=O)C(=O)C(C)Br.NC(N)=S', 'CCOC(=O)C(Cl)C(C)=O.NC(N)=S']"
33,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>COc1cc(OC)nc(N)n1</SMILES> Target product B: <SMILES>COc1cc(OC)nc(NC(=O)NS(=O)(=O)N(C)S(C)(=O)=O)n1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>COc1cc(OC)nc(N)n1</SMILES> Target product B: <SMILES>COc1cc(OC)nc(NC(=O)NS(=O)(=O)N(C)S(C)(=O)=O)n1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>COc1cc(OC)nc(N)n1</SMILES> Target product B: <SMILES>COc1cc(OC)nc(NC(=O)NS(=O)(=O)N(C)S(C)(=O)=O)n1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",COc1cc(OC)nc(N)n1,COc1cc(OC)nc(NC(=O)NS(=O)(=O)N(C)S(C)(=O)=O)n1,"['CN(S(C)(=O)=O)S(=O)(=O)NC(=O)SCc1ccccc1.COc1cc(OC)nc(N)n1', 'CN(S(C)(=O)=O)S(=O)(=O)NC(=O)N1CCOCC1.COc1cc(OC)nc(N)n1', 'COc1cc(OC)nc(N)n1.CSC(=O)NS(=O)(=O)N(C)S(C)(=O)=O', 'CNS(C)(=O)=O.COc1cc(OC)nc(N)n1.N#CO.[Na]', 'CCOC(=O)NS(=O)(=O)N(C)S(C)(=O)=O.COc1cc(OC)nc(N)n1', 'CNS(C)(=O)=O.COc1cc(OC)nc(N)n1.N#C[O-].O=S(=O)(Cl)Cl.[Na+]', 'CN(NC(=O)NS(=O)(=O)N(C)S(C)(=O)=O)S(C)(=O)=O.COc1cc(OC)nc(N)n1']"
34,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>COC(=O)[C@@H]1C[C@@H](O)CN1.Cl</SMILES> Target product B: <SMILES>C=CCCC(C)C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@H]1C(=O)OC</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>COC(=O)[C@@H]1C[C@@H](O)CN1.Cl</SMILES> Target product B: <SMILES>C=CCCC(C)C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@H]1C(=O)OC</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>COC(=O)[C@@H]1C[C@@H](O)CN1.Cl</SMILES> Target product B: <SMILES>C=CCCC(C)C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@H]1C(=O)OC</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",COC(=O)[C@@H]1C[C@@H](O)CN1.Cl,C=CCCC(C)C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@H]1C(=O)OC,"['C=CCCC(C)C[C@@H](C)C(NC(=O)OC(C)(C)C)C(=O)O.COC(=O)[C@@H]1C[C@@H](O)CN1.Cl', 'C=CCCC(C)C[C@@H](COC)C(NC(=O)OC(C)(C)C)C(=O)O.CCN(C(C)C)C(C)C.CN(C)C(On1nnc2cccnc21)=[N+](C)C.COC(=O)[C@@H]1C[C@@H](O)CN1.Cl.F[P-](F)(F)(F)(F)F']"
35,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CC(C)(O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1</SMILES> Target product B: <SMILES>CC(C)(O)c1ncc(-c2cc(C3CCCO3)c(N)c([N+](=O)[O-])c2)cn1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CC(C)(O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1</SMILES> Target product B: <SMILES>CC(C)(O)c1ncc(-c2cc(C3CCCO3)c(N)c([N+](=O)[O-])c2)cn1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CC(C)(O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1</SMILES> Target product B: <SMILES>CC(C)(O)c1ncc(-c2cc(C3CCCO3)c(N)c([N+](=O)[O-])c2)cn1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",CC(C)(O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1,CC(C)(O)c1ncc(-c2cc(C3CCCO3)c(N)c([N+](=O)[O-])c2)cn1,"['CC(C)(O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1.O=C(Nc1c(C2CCCO2)cc(Br)cc1[N+](=O)[O-])C(F)(F)F', 'CC(C)(O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1.Nc1c(C2CCCO2)cc(Br)cc1[N+](=O)[O-]']"
36,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CN1CCOCC1</SMILES> Target product B: <SMILES>COc1nc(OC)nc([N+]2(C)CCOCC2)n1.[Cl-]</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CN1CCOCC1</SMILES> Target product B: <SMILES>COc1nc(OC)nc([N+]2(C)CCOCC2)n1.[Cl-]</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CN1CCOCC1</SMILES> Target product B: <SMILES>COc1nc(OC)nc([N+]2(C)CCOCC2)n1.[Cl-]</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",CN1CCOCC1,COc1nc(OC)nc([N+]2(C)CCOCC2)n1.[Cl-],"['CN1CCOCC1.CO.Clc1nc(Cl)nc(Cl)n1', 'CN1CCOCC1.CO.FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCOc1nc(Cl)nc(OCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n1', 'CN1CCOCC1.COc1nc(Cl)nc(OC)n1', 'CN1CCOCC1.FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCOc1nc(Cl)nc(OCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n1']"
37,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CC(C)c1cc2ccccn2n1</SMILES> Target product B: <SMILES>CC(=O)c1c(C(C)C)nn2ccccc12</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CC(C)c1cc2ccccn2n1</SMILES> Target product B: <SMILES>CC(=O)c1c(C(C)C)nn2ccccc12</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CC(C)c1cc2ccccn2n1</SMILES> Target product B: <SMILES>CC(=O)c1c(C(C)C)nn2ccccc12</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",CC(C)c1cc2ccccn2n1,CC(=O)c1c(C(C)C)nn2ccccc12,"['CC(C)c1cc2ccccn2n1.CN(C)C=O', 'CC(=O)Cl.CC(C)c1cc2ccccn2n1', 'CC(=O)OC(C)=O.CC(C)c1cc2ccccn2n1']"
38,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>ClP(Cl)Cl</SMILES> Target product B: <SMILES>ClP(Cl)c1ccccc1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>ClP(Cl)Cl</SMILES> Target product B: <SMILES>ClP(Cl)c1ccccc1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>ClP(Cl)Cl</SMILES> Target product B: <SMILES>ClP(Cl)c1ccccc1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",ClP(Cl)Cl,ClP(Cl)c1ccccc1,"['ClP(Cl)Cl.c1ccccc1', 'ClP(Cl)Cl.ClP(c1ccccc1)c1ccccc1', 'ClP(Cl)Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1']"
39,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>O=C1CCCCC1</SMILES> Target product B: <SMILES>COC(=O)C=C1CCCCC1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>O=C1CCCCC1</SMILES> Target product B: <SMILES>COC(=O)C=C1CCCCC1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>O=C1CCCCC1</SMILES> Target product B: <SMILES>COC(=O)C=C1CCCCC1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",O=C1CCCCC1,COC(=O)C=C1CCCCC1,"['COC(=O)CP(=O)(OC)OC.O=C1CCCCC1', 'CCOP(=O)(CC(=O)OC)OCC.O=C1CCCCC1', 'CCOP(=O)(CC(=O)OC)OCCc1ccccc1.O=C1CCCCC1', 'C=C(F)F.O=C1CCCCC1', 'COC(CCl)OC.O=C1CCCCC1', 'COC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.O=C1CCCCC1.[Cl-]', 'COC(Cl)=C(Br)Br.O=C1CCCCC1', 'O=C1CCCCC1.[Cl-].[Li]C#COC', 'CCOC#C[Mg]Br.O=C1CCCCC1.[Cl-]', 'COC(=O)CBr.COC(=O)CC1=CCCCC1.O=C1CCCCC1', 'COP(=O)(O)C(C)(C)C(=O)[O-].O=C1CCCCC1', 'COC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1.O=C1CCCCC1']"
40,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>[N-]=[N+]=[N-].[Na+]</SMILES> Target product B: <SMILES>[N-]=[N+]=NCc1ccc(C(=O)O)cc1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>[N-]=[N+]=[N-].[Na+]</SMILES> Target product B: <SMILES>[N-]=[N+]=NCc1ccc(C(=O)O)cc1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>[N-]=[N+]=[N-].[Na+]</SMILES> Target product B: <SMILES>[N-]=[N+]=NCc1ccc(C(=O)O)cc1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",[N-]=[N+]=[N-].[Na+],[N-]=[N+]=NCc1ccc(C(=O)O)cc1,"['O=C(O)c1ccc(CBr)cc1.[N-]=[N+]=[N-].[Na+]', 'O=C(O)c1ccc(CCl)cc1.[N-]=[N+]=[N-].[Na+]']"
41,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>Oc1ccccc1Cl</SMILES> Target product B: <SMILES>O=C(O)CCCOc1ccccc1Cl</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>Oc1ccccc1Cl</SMILES> Target product B: <SMILES>O=C(O)CCCOc1ccccc1Cl</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>Oc1ccccc1Cl</SMILES> Target product B: <SMILES>O=C(O)CCCOc1ccccc1Cl</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",Oc1ccccc1Cl,O=C(O)CCCOc1ccccc1Cl,"['O=C1CCCO1.Oc1ccccc1Cl', 'CCOC(=O)CCCBr.Oc1ccccc1Cl', 'O=C1CCCO1.Oc1ccccc1Cl.[Na]']"
42,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>Nc1ccccn1</SMILES> Target product B: <SMILES>CC(C)(C)OC(=O)Nc1ccccn1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>Nc1ccccn1</SMILES> Target product B: <SMILES>CC(C)(C)OC(=O)Nc1ccccn1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>Nc1ccccn1</SMILES> Target product B: <SMILES>CC(C)(C)OC(=O)Nc1ccccn1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",Nc1ccccn1,CC(C)(C)OC(=O)Nc1ccccn1,"['CC(C)(C)OC(=O)Oc1ccccc1.Nc1ccccn1', 'CC(C)(C)C(=O)Cl.Nc1ccccn1', 'CC(C)(C)OC(=O)Cl.Nc1ccccn1', 'Nc1ccccn1.O=CO', 'CC(C)(C)OC(=O)OC(C)(C)C.Nc1ccccn1', 'CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.Nc1ccccn1']"
43,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>Clc1ccc2c(n1)N[C@H]1CCN2C1</SMILES> Target product B: <SMILES>O=C(Nc1ccccn1)N1c2nc(Cl)ccc2N2CC[C@H]1C2</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>Clc1ccc2c(n1)N[C@H]1CCN2C1</SMILES> Target product B: <SMILES>O=C(Nc1ccccn1)N1c2nc(Cl)ccc2N2CC[C@H]1C2</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>Clc1ccc2c(n1)N[C@H]1CCN2C1</SMILES> Target product B: <SMILES>O=C(Nc1ccccn1)N1c2nc(Cl)ccc2N2CC[C@H]1C2</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",Clc1ccc2c(n1)N[C@H]1CCN2C1,O=C(Nc1ccccn1)N1c2nc(Cl)ccc2N2CC[C@H]1C2,"['Clc1ccc2c(n1)N[C@H]1CCN2C1.O=C(Nc1ccccn1)Oc1ccccc1', 'Clc1ccc2c(n1)N[C@H]1CCN2C1.O=c1nc2ccccn2c(=O)n1-c1ccccn1']"
44,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>COC(=O)c1ccc(O)c(C#N)c1</SMILES> Target product B: <SMILES>COC(=O)c1ccc(OC(C)C)c(C#N)c1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>COC(=O)c1ccc(O)c(C#N)c1</SMILES> Target product B: <SMILES>COC(=O)c1ccc(OC(C)C)c(C#N)c1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>COC(=O)c1ccc(O)c(C#N)c1</SMILES> Target product B: <SMILES>COC(=O)c1ccc(OC(C)C)c(C#N)c1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",COC(=O)c1ccc(O)c(C#N)c1,COC(=O)c1ccc(OC(C)C)c(C#N)c1,"['CC(C)I.COC(=O)c1ccc(O)c(C#N)c1', 'CC(C)Br.COC(=O)c1ccc(O)c(C#N)c1', 'COC(=O)c1ccc(O)c(C#N)c1.[2H]C([2H])([2H])C([2H])(Br)C([2H])([2H])[2H]', 'COC(=O)c1ccc(O)c(C#N)c1.[2H]C(C)(C)Br', 'C1CCOC1.COC(=O)c1ccc(O)c(C#N)c1', 'CC[Zn]CC.COC(=O)c1ccc(O)c(C#N)c1.ClCI', 'COC(=O)c1ccc(O)c(C#N)c1.O=C1CCC(=O)N1Cl']"
45,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>O=C1CCC2(CC1)OCCO2</SMILES> Target product B: <SMILES>COC(=O)C=C1CCC2(CC1)OCCO2</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>O=C1CCC2(CC1)OCCO2</SMILES> Target product B: <SMILES>COC(=O)C=C1CCC2(CC1)OCCO2</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>O=C1CCC2(CC1)OCCO2</SMILES> Target product B: <SMILES>COC(=O)C=C1CCC2(CC1)OCCO2</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",O=C1CCC2(CC1)OCCO2,COC(=O)C=C1CCC2(CC1)OCCO2,"['COC(=O)CP(=O)(OC)OC.O=C1CCC2(CC1)OCCO2', 'COC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1.O=C1CCC2(CC1)OCCO2']"
46,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>O=Cc1ccc([N+](=O)[O-])s1</SMILES> Target product B: <SMILES>O=C(O)c1ccc([N+](=O)[O-])s1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>O=Cc1ccc([N+](=O)[O-])s1</SMILES> Target product B: <SMILES>O=C(O)c1ccc([N+](=O)[O-])s1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>O=Cc1ccc([N+](=O)[O-])s1</SMILES> Target product B: <SMILES>O=C(O)c1ccc([N+](=O)[O-])s1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",O=Cc1ccc([N+](=O)[O-])s1,O=C(O)c1ccc([N+](=O)[O-])s1,"['O=Cc1ccc([N+](=O)[O-])s1.O=P([O-])(O)O.[Na+]', 'CC(C)=O.O=Cc1ccc([N+](=O)[O-])s1.O=S(=O)(O)O.O=[Cr](=O)=O']"
47,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>Brc1cnc(I)nc1</SMILES> Target product B: <SMILES>C=Cc1ncc(Br)cn1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>Brc1cnc(I)nc1</SMILES> Target product B: <SMILES>C=Cc1ncc(Br)cn1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>Brc1cnc(I)nc1</SMILES> Target product B: <SMILES>C=Cc1ncc(Br)cn1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",Brc1cnc(I)nc1,C=Cc1ncc(Br)cn1,"['Brc1cnc(I)nc1.C=C[Mg]Br', 'Brc1cnc(I)nc1.C=CB1OC(C)(C)C(C)(C)O1', 'Brc1cnc(I)nc1.C=C[Sn](CCCC)(CCCC)CCCC']"
48,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>Cc1ccc(O)cn1</SMILES> Target product B: <SMILES>Cc1ccc(OS(=O)(=O)C(F)(F)F)cn1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>Cc1ccc(O)cn1</SMILES> Target product B: <SMILES>Cc1ccc(OS(=O)(=O)C(F)(F)F)cn1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>Cc1ccc(O)cn1</SMILES> Target product B: <SMILES>Cc1ccc(OS(=O)(=O)C(F)(F)F)cn1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",Cc1ccc(O)cn1,Cc1ccc(OS(=O)(=O)C(F)(F)F)cn1,"['Cc1ccc(O)cn1.O=S(=O)(N(c1ccc(Cl)cn1)S(=O)(=O)C(F)(F)F)C(F)(F)F', 'Cc1ccc(O)cn1.O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F', 'Cc1ccc(O)cn1.O=S(=O)(N(c1ccccc1)S(=O)(=O)C(F)(F)F)C(F)(F)F']"
49,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>Cn1cc(-c2ccc(NN)nn2)cn1</SMILES> Target product B: <SMILES>Cn1cc(-c2ccc3nnc(S)n3n2)cn1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>Cn1cc(-c2ccc(NN)nn2)cn1</SMILES> Target product B: <SMILES>Cn1cc(-c2ccc3nnc(S)n3n2)cn1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>Cn1cc(-c2ccc(NN)nn2)cn1</SMILES> Target product B: <SMILES>Cn1cc(-c2ccc3nnc(S)n3n2)cn1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",Cn1cc(-c2ccc(NN)nn2)cn1,Cn1cc(-c2ccc3nnc(S)n3n2)cn1,"['Cn1cc(-c2ccc(NN)nn2)cn1.S=C=S', 'Cn1cc(-c2ccc(NN)nn2)cn1.S=C(n1ccnc1)n1ccnc1']"
50,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CC(C)(C)OC(=O)OC(=O)OC(C)(C)C</SMILES> Target product B: <SMILES>CC(C)(C)OC(=O)NCCc1cccc(N)c1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CC(C)(C)OC(=O)OC(=O)OC(C)(C)C</SMILES> Target product B: <SMILES>CC(C)(C)OC(=O)NCCc1cccc(N)c1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CC(C)(C)OC(=O)OC(=O)OC(C)(C)C</SMILES> Target product B: <SMILES>CC(C)(C)OC(=O)NCCc1cccc(N)c1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",CC(C)(C)OC(=O)OC(=O)OC(C)(C)C,CC(C)(C)OC(=O)NCCc1cccc(N)c1,"['CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.NCCc1cccc(N)c1', 'CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CNCc1cccc([N+](=O)[O-])c1']"
51,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>OB(O)c1ccccc1F</SMILES> Target product B: <SMILES>Fc1ccccc1-c1cccnc1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>OB(O)c1ccccc1F</SMILES> Target product B: <SMILES>Fc1ccccc1-c1cccnc1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>OB(O)c1ccccc1F</SMILES> Target product B: <SMILES>Fc1ccccc1-c1cccnc1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",OB(O)c1ccccc1F,Fc1ccccc1-c1cccnc1,"['O=C(O)c1cccnc1.OB(O)c1ccccc1F', 'Brc1cccnc1.OB(O)c1ccccc1F', 'Ic1cccnc1.OB(O)c1ccccc1F']"
52,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>O=C(O)c1cc(F)cnc1Cl</SMILES> Target product B: <SMILES>CC(C)(C)OC(=O)N1CCC(NC(=O)c2cc(F)cnc2Cl)CC1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>O=C(O)c1cc(F)cnc1Cl</SMILES> Target product B: <SMILES>CC(C)(C)OC(=O)N1CCC(NC(=O)c2cc(F)cnc2Cl)CC1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>O=C(O)c1cc(F)cnc1Cl</SMILES> Target product B: <SMILES>CC(C)(C)OC(=O)N1CCC(NC(=O)c2cc(F)cnc2Cl)CC1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",O=C(O)c1cc(F)cnc1Cl,CC(C)(C)OC(=O)N1CCC(NC(=O)c2cc(F)cnc2Cl)CC1,"['CC(C)(C)OC(=O)N1CCC(N)CC1.O=C(O)c1cc(F)cnc1Cl', 'CC(C)(C)OC(=O)NN1CCC(N)CC1.O=C(O)c1cc(F)cnc1Cl']"
53,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>O=Cc1ccccc1</SMILES> Target product B: <SMILES>ON=Cc1ccccc1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>O=Cc1ccccc1</SMILES> Target product B: <SMILES>ON=Cc1ccccc1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>O=Cc1ccccc1</SMILES> Target product B: <SMILES>ON=Cc1ccccc1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",O=Cc1ccccc1,ON=Cc1ccccc1,"['C[Si](C)(C)NO[Si](C)(C)C.NO.O=Cc1ccccc1', 'Cl.NO.O=Cc1ccccc1', 'NO.O=Cc1ccccc1.O=S(=O)(O)O']"
54,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>[C-]#[N+]CS(=O)(=O)c1ccc(C)cc1</SMILES> Target product B: <SMILES>CCOC(=O)c1c[nH]cc1-c1ccc([N+](=O)[O-])cc1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>[C-]#[N+]CS(=O)(=O)c1ccc(C)cc1</SMILES> Target product B: <SMILES>CCOC(=O)c1c[nH]cc1-c1ccc([N+](=O)[O-])cc1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>[C-]#[N+]CS(=O)(=O)c1ccc(C)cc1</SMILES> Target product B: <SMILES>CCOC(=O)c1c[nH]cc1-c1ccc([N+](=O)[O-])cc1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",[C-]#[N+]CS(=O)(=O)c1ccc(C)cc1,CCOC(=O)c1c[nH]cc1-c1ccc([N+](=O)[O-])cc1,"['CCOC(=O)C=Cc1ccc([N+](=O)[O-])cc1.[C-]#[N+]CS(=O)(=O)c1ccc(C)cc1', 'CCOC(=O)/C=C/c1ccc([N+](=O)[O-])cc1.[C-]#[N+]CS(=O)(=O)c1ccc(C)cc1']"
55,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CCOC(=O)CC1CCCCC1=O</SMILES> Target product B: <SMILES>CCOC(=O)CC1CCCc2c1[nH]c1c(Br)cc(F)cc21</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CCOC(=O)CC1CCCCC1=O</SMILES> Target product B: <SMILES>CCOC(=O)CC1CCCc2c1[nH]c1c(Br)cc(F)cc21</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CCOC(=O)CC1CCCCC1=O</SMILES> Target product B: <SMILES>CCOC(=O)CC1CCCc2c1[nH]c1c(Br)cc(F)cc21</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",CCOC(=O)CC1CCCCC1=O,CCOC(=O)CC1CCCc2c1[nH]c1c(Br)cc(F)cc21,"['CCOC(=O)CC1CCCCC1=O.NNc1ccc(F)cc1Br', 'CCOC(=O)CC1CCCCC1=O.Nc1ccc(F)cc1Br', 'CCOC(=O)CC1CCCCC1=O.[Cl-].[NH3+]Nc1ccc(F)cc1Br', 'CCOC(=O)CC1CCCCC1=O.Cl.NNc1ccc(F)cc1Br']"
56,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CC(C)(C)OC(=O)N1CCC(NC2CC2)CC1</SMILES> Target product B: <SMILES>Cc1ncoc1-c1ccc(C(=O)N(C2CC2)C2CCN(C(=O)OC(C)(C)C)CC2)cc1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CC(C)(C)OC(=O)N1CCC(NC2CC2)CC1</SMILES> Target product B: <SMILES>Cc1ncoc1-c1ccc(C(=O)N(C2CC2)C2CCN(C(=O)OC(C)(C)C)CC2)cc1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CC(C)(C)OC(=O)N1CCC(NC2CC2)CC1</SMILES> Target product B: <SMILES>Cc1ncoc1-c1ccc(C(=O)N(C2CC2)C2CCN(C(=O)OC(C)(C)C)CC2)cc1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",CC(C)(C)OC(=O)N1CCC(NC2CC2)CC1,Cc1ncoc1-c1ccc(C(=O)N(C2CC2)C2CCN(C(=O)OC(C)(C)C)CC2)cc1,"['CC(C)(C)OC(=O)N1CCC(NC2CC2)CC1.Cc1ncoc1-c1ccc(C(=O)O)cc1', 'CC(C)(C)OC(=O)N1CCC(NC2CC2)CC1.Cc1ncoc1-c1ccc(C(=O)Cl)cc1']"
57,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>C1CSCCN1</SMILES> Target product B: <SMILES>CC(C)(C)OC(=O)N1CCSCC1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>C1CSCCN1</SMILES> Target product B: <SMILES>CC(C)(C)OC(=O)N1CCSCC1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>C1CSCCN1</SMILES> Target product B: <SMILES>CC(C)(C)OC(=O)N1CCSCC1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",C1CSCCN1,CC(C)(C)OC(=O)N1CCSCC1,"['C1CSCCN1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C', 'C1CSCCN1.CC(C)(C)OC(=O)OC(=O)OC(=O)[O-]']"
58,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>Brc1ccccn1</SMILES> Target product B: <SMILES>Brc1cccc(-c2ccccn2)c1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>Brc1ccccn1</SMILES> Target product B: <SMILES>Brc1cccc(-c2ccccn2)c1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>Brc1ccccn1</SMILES> Target product B: <SMILES>Brc1cccc(-c2ccccn2)c1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",Brc1ccccn1,Brc1cccc(-c2ccccn2)c1,"['Brc1ccccn1.CC1(C)OB(c2cccc(Br)c2)OC1(C)C', 'Brc1cccc(Br)c1.Brc1ccccn1', 'Brc1ccccn1.Oc1cccc(Br)c1', 'Brc1ccccn1.OB(O)c1ccccc1Br', 'Brc1ccccn1.OB(O)c1cccc(Br)c1', 'Brc1ccccn1.OB(O)Oc1cccc(Br)c1']"
59,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CC(C)(C)OC(=O)N1CCC(O)CC1</SMILES> Target product B: <SMILES>CC(C)(C)OC(=O)N1CCC(Oc2ccc(I)cc2)CC1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CC(C)(C)OC(=O)N1CCC(O)CC1</SMILES> Target product B: <SMILES>CC(C)(C)OC(=O)N1CCC(Oc2ccc(I)cc2)CC1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CC(C)(C)OC(=O)N1CCC(O)CC1</SMILES> Target product B: <SMILES>CC(C)(C)OC(=O)N1CCC(Oc2ccc(I)cc2)CC1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",CC(C)(C)OC(=O)N1CCC(O)CC1,CC(C)(C)OC(=O)N1CCC(Oc2ccc(I)cc2)CC1,"['CC(C)(C)OC(=O)N1CCC(O)CC1.Oc1ccc(I)cc1', 'CC(C)(C)OC(=O)N1CCC(O)CC1.Fc1ccc(I)cc1']"
60,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>OC[C@H]1OC=C[C@@H](O)[C@@H]1O</SMILES> Target product B: <SMILES>CC(=O)OC[C@H]1OC=C[C@@H](OC(C)=O)[C@@H]1O</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>OC[C@H]1OC=C[C@@H](O)[C@@H]1O</SMILES> Target product B: <SMILES>CC(=O)OC[C@H]1OC=C[C@@H](OC(C)=O)[C@@H]1O</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>OC[C@H]1OC=C[C@@H](O)[C@@H]1O</SMILES> Target product B: <SMILES>CC(=O)OC[C@H]1OC=C[C@@H](OC(C)=O)[C@@H]1O</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",OC[C@H]1OC=C[C@@H](O)[C@@H]1O,CC(=O)OC[C@H]1OC=C[C@@H](OC(C)=O)[C@@H]1O,"['CC(=O)Cl.OC[C@H]1OC=C[C@@H](O)[C@@H]1O', 'CC(=O)OC(C)=O.OC[C@H]1OC=C[C@@H](O)[C@@H]1O', 'C=C(C)OC(C)=O.OC[C@H]1OC=C[C@@H](O)[C@@H]1O', 'C=COC(C)=O.OC[C@H]1OC=C[C@@H](O)[C@@H]1O']"
61,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>COC(=O)c1ccccc1B(O)O</SMILES> Target product B: <SMILES>O=c1[nH]c2ncccc2c2ccccc12</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>COC(=O)c1ccccc1B(O)O</SMILES> Target product B: <SMILES>O=c1[nH]c2ncccc2c2ccccc12</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>COC(=O)c1ccccc1B(O)O</SMILES> Target product B: <SMILES>O=c1[nH]c2ncccc2c2ccccc12</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",COC(=O)c1ccccc1B(O)O,O=c1[nH]c2ncccc2c2ccccc12,"['COC(=O)c1ccccc1B(O)O.Nc1ncccc1Br', 'COC(=O)c1ccccc1B(O)O.Nc1ncc(Br)cc1I']"
62,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>COS(=O)(=O)OC</SMILES> Target product B: <SMILES>CN1CS(=O)c2cccc(Cl)c21</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>COS(=O)(=O)OC</SMILES> Target product B: <SMILES>CN1CS(=O)c2cccc(Cl)c21</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>COS(=O)(=O)OC</SMILES> Target product B: <SMILES>CN1CS(=O)c2cccc(Cl)c21</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",COS(=O)(=O)OC,CN1CS(=O)c2cccc(Cl)c21,"['COS(=O)(=O)OC.COc1nc2c(Cl)cccc2s1', 'COS(=O)(=O)OC.O=S1C=Nc2c(Cl)cccc21']"
63,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CI</SMILES> Target product B: <SMILES>COC(=O)c1cc(C)cc(OC)c1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CI</SMILES> Target product B: <SMILES>COC(=O)c1cc(C)cc(OC)c1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CI</SMILES> Target product B: <SMILES>COC(=O)c1cc(C)cc(OC)c1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",CI,COC(=O)c1cc(C)cc(OC)c1,"['CI.Cc1cc(O)cc(C(=O)O)c1', 'CI.COC(=O)c1cc(C)cc(O)c1', 'CI.CN(C)c1ccccn1.Cc1cc(O)cc(C(=O)O)c1']"
64,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>COc1ccc(N)c(C)c1</SMILES> Target product B: <SMILES>COc1ccc(NC(=O)OC(C)(C)C)c(C)c1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>COc1ccc(N)c(C)c1</SMILES> Target product B: <SMILES>COc1ccc(NC(=O)OC(C)(C)C)c(C)c1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>COc1ccc(N)c(C)c1</SMILES> Target product B: <SMILES>COc1ccc(NC(=O)OC(C)(C)C)c(C)c1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",COc1ccc(N)c(C)c1,COc1ccc(NC(=O)OC(C)(C)C)c(C)c1,"['CC(C)(C)OC(=O)Cl.COc1ccc(N)c(C)c1', 'CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.COc1ccc(N)c(C)c1', 'CC(C)(C)OC(=O)OC(=O)[O-].COc1ccc(N)c(C)c1']"
65,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>Nc1cc(F)ccc1F</SMILES> Target product B: <SMILES>Nc1cc(F)c(Br)cc1F</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>Nc1cc(F)ccc1F</SMILES> Target product B: <SMILES>Nc1cc(F)c(Br)cc1F</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>Nc1cc(F)ccc1F</SMILES> Target product B: <SMILES>Nc1cc(F)c(Br)cc1F</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",Nc1cc(F)ccc1F,Nc1cc(F)c(Br)cc1F,"['BrBr.Nc1cc(F)ccc1F', 'Nc1cc(F)ccc1F.O=C1CCC(=O)N1Br']"
66,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CCN</SMILES> Target product B: <SMILES>CCNCc1ccc2nc(C)[nH]c(=O)c2c1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CCN</SMILES> Target product B: <SMILES>CCNCc1ccc2nc(C)[nH]c(=O)c2c1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CCN</SMILES> Target product B: <SMILES>CCNCc1ccc2nc(C)[nH]c(=O)c2c1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",CCN,CCNCc1ccc2nc(C)[nH]c(=O)c2c1,"['CCN.Cc1nc(=O)c2cc(CBr)ccc2[nH]1', 'CCN.Cc1nc2ccccc2c(=O)n1CBr', 'CCN.Cc1nc2ccc(CBr)cc2c(=O)[nH]1']"
67,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CC(C)(C)OC(=O)OC(=O)OC(C)(C)C</SMILES> Target product B: <SMILES>CC(C)(C)OC(=O)N1CCCC(=O)C1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CC(C)(C)OC(=O)OC(=O)OC(C)(C)C</SMILES> Target product B: <SMILES>CC(C)(C)OC(=O)N1CCCC(=O)C1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CC(C)(C)OC(=O)OC(=O)OC(C)(C)C</SMILES> Target product B: <SMILES>CC(C)(C)OC(=O)N1CCCC(=O)C1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",CC(C)(C)OC(=O)OC(=O)OC(C)(C)C,CC(C)(C)OC(=O)N1CCCC(=O)C1,"['CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.Cl.OC1(O)CCCN(Cc2ccccc2)C1', 'CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.Cl.O=C1CCCN(Cc2ccccc2)C1', 'CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.Oc1cccnc1', 'CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.Cl.O=C1CCCNC1', 'Br.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.OC1(O)CCCN(Cc2ccccc2)C1', 'CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.OC1CCCNC1', 'CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.O=C1CCCN(Cc2ccccc2)C1']"
68,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>C1COCCN1</SMILES> Target product B: <SMILES>O=C(c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1)N1CCOCC1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>C1COCCN1</SMILES> Target product B: <SMILES>O=C(c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1)N1CCOCC1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>C1COCCN1</SMILES> Target product B: <SMILES>O=C(c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1)N1CCOCC1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",C1COCCN1,O=C(c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1)N1CCOCC1,"['C1COCCN1.O=C(O)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1', 'C1COCCN1.O=C(Cl)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1']"
69,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>O=C(O)CCc1ccc(O)cc1</SMILES> Target product B: <SMILES>COC(=O)CCc1ccc(O)cc1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>O=C(O)CCc1ccc(O)cc1</SMILES> Target product B: <SMILES>COC(=O)CCc1ccc(O)cc1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>O=C(O)CCc1ccc(O)cc1</SMILES> Target product B: <SMILES>COC(=O)CCc1ccc(O)cc1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",O=C(O)CCc1ccc(O)cc1,COC(=O)CCc1ccc(O)cc1,"['COC(OC)OC.O=C(O)CCc1ccc(O)cc1', 'COC(=O)OC.O=C(O)CCc1ccc(O)cc1', 'C=[N+]=[N-].O=C(O)CCc1ccc(O)cc1', 'CO.O=C(O)CCc1ccc(O)cc1', 'CI.O=C(O)CCc1ccc(O)cc1', 'C1COCCO1.Cl.O=C(O)CCc1ccc(O)cc1']"
70,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CC1CC(=O)CCN1</SMILES> Target product B: <SMILES>CC1CC(=O)CCN1C(=O)OC(C)(C)C</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CC1CC(=O)CCN1</SMILES> Target product B: <SMILES>CC1CC(=O)CCN1C(=O)OC(C)(C)C</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CC1CC(=O)CCN1</SMILES> Target product B: <SMILES>CC1CC(=O)CCN1C(=O)OC(C)(C)C</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",CC1CC(=O)CCN1,CC1CC(=O)CCN1C(=O)OC(C)(C)C,"['CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CC1CC(=O)CCN1', 'CC(C)(C)OOC(=O)OC(=O)OOC(C)(C)C.CC1CC(=O)CCN1']"
71,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>O=C1CCC2(CC1)OCCO2</SMILES> Target product B: <SMILES>OC1(c2ncccn2)CCC2(CC1)OCCO2</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>O=C1CCC2(CC1)OCCO2</SMILES> Target product B: <SMILES>OC1(c2ncccn2)CCC2(CC1)OCCO2</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>O=C1CCC2(CC1)OCCO2</SMILES> Target product B: <SMILES>OC1(c2ncccn2)CCC2(CC1)OCCO2</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",O=C1CCC2(CC1)OCCO2,OC1(c2ncccn2)CCC2(CC1)OCCO2,"['CCCC[Sn](CCCC)(CCCC)c1ncccn1.O=C1CCC2(CC1)OCCO2', 'O=C1CCC2(CC1)OCCO2.[SnH3]c1ncccn1', 'Brc1ncccn1.O=C1CCC2(CC1)OCCO2']"
72,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>O=C(O)c1cc(Cl)ccc1[N+](=O)[O-]</SMILES> Target product B: <SMILES>COC(=O)c1cc(Cl)ccc1[N+](=O)[O-]</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>O=C(O)c1cc(Cl)ccc1[N+](=O)[O-]</SMILES> Target product B: <SMILES>COC(=O)c1cc(Cl)ccc1[N+](=O)[O-]</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>O=C(O)c1cc(Cl)ccc1[N+](=O)[O-]</SMILES> Target product B: <SMILES>COC(=O)c1cc(Cl)ccc1[N+](=O)[O-]</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",O=C(O)c1cc(Cl)ccc1[N+](=O)[O-],COC(=O)c1cc(Cl)ccc1[N+](=O)[O-],"['CI.O=C(O)c1cc(Cl)ccc1[N+](=O)[O-]', 'CO.O=C(O)c1cc(Cl)ccc1[N+](=O)[O-]', 'C=[N+]=[N-].O=C(O)c1cc(Cl)ccc1[N+](=O)[O-]', 'COS(=O)(=O)OC.O=C(O)c1cc(Cl)ccc1[N+](=O)[O-]']"
73,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>c1cn[nH]c1</SMILES> Target product B: <SMILES>c1cnc(N2CCN(CCCCn3cccn3)CC2)nc1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>c1cn[nH]c1</SMILES> Target product B: <SMILES>c1cnc(N2CCN(CCCCn3cccn3)CC2)nc1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>c1cn[nH]c1</SMILES> Target product B: <SMILES>c1cnc(N2CCN(CCCCn3cccn3)CC2)nc1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",c1cn[nH]c1,c1cnc(N2CCN(CCCCn3cccn3)CC2)nc1,"['[Br-].c1cn[nH]c1.c1cnc(N2CC[N+]3(CCCC3)CC2)nc1', 'BrCCCCN1CCN(c2ncccn2)CC1.c1cn[nH]c1']"
74,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CCOC(=O)C1CCNCC1</SMILES> Target product B: <SMILES>CCOC(=O)C1CCN(Cc2ccccc2)CC1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CCOC(=O)C1CCNCC1</SMILES> Target product B: <SMILES>CCOC(=O)C1CCN(Cc2ccccc2)CC1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CCOC(=O)C1CCNCC1</SMILES> Target product B: <SMILES>CCOC(=O)C1CCN(Cc2ccccc2)CC1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",CCOC(=O)C1CCNCC1,CCOC(=O)C1CCN(Cc2ccccc2)CC1,"['CCOC(=O)C1CCNCC1.O=Cc1ccccc1', 'CCOC(=O)C1CCNCC1.CCOC(=O)c1ccccc1', 'CCOC(=O)C1CCNCC1.ClCc1ccccc1', 'BrCc1ccccc1.CCOC(=O)C1CCNCC1', 'CCOC(=O)C1CCNCC1.Cc1ccccc1Br', 'CCOC(=O)C1CCNCC1.OCc1ccccc1', 'CCOC(=O)C1CCNCC1.c1ccc(COP2N(c3ccccc3)CCN2c2ccccc2)cc1', 'CCOC(=O)C1CCNCC1.O=C(Cl)c1ccccc1', 'CCOC(=O)C1CCNCC1.O=C(O)c1ccccc1']"
75,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CC(C)(C)OC(=O)OC(=O)OC(C)(C)C</SMILES> Target product B: <SMILES>CC(C)(C)OC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CC(C)(C)OC(=O)OC(=O)OC(C)(C)C</SMILES> Target product B: <SMILES>CC(C)(C)OC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CC(C)(C)OC(=O)OC(=O)OC(C)(C)C</SMILES> Target product B: <SMILES>CC(C)(C)OC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",CC(C)(C)OC(=O)OC(=O)OC(C)(C)C,CC(C)(C)OC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1,"['CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.O=[N+]([O-])O.O=[N+]([O-])c1ccc2c(c1)CNC2', 'Br.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.O=[N+]([O-])c1ccc2c(c1)CNC2', 'CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.Cl.c1ccc2c(c1)CNC2', 'CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.O=[N+]([O-])c1ccc2c(c1)CNC2', 'CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.O=C(N1Cc2ccc([N+](=O)[O-])cc2C1)C(F)(F)F']"
76,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>BrCc1ccccc1Br</SMILES> Target product B: <SMILES>CCOP(=O)(Cc1ccccc1Br)OCC</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>BrCc1ccccc1Br</SMILES> Target product B: <SMILES>CCOP(=O)(Cc1ccccc1Br)OCC</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>BrCc1ccccc1Br</SMILES> Target product B: <SMILES>CCOP(=O)(Cc1ccccc1Br)OCC</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",BrCc1ccccc1Br,CCOP(=O)(Cc1ccccc1Br)OCC,"['BrCc1ccccc1Br.CCO[PH](=O)OCC', 'BrCc1ccccc1Br.CCOP(OCC)OCC', 'BrCc1ccccc1Br.CCOP([O-])OCC']"
77,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CC(C)NC(N)=O</SMILES> Target product B: <SMILES>CC(C)N1C(=O)CC(=O)NC1=O</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CC(C)NC(N)=O</SMILES> Target product B: <SMILES>CC(C)N1C(=O)CC(=O)NC1=O</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CC(C)NC(N)=O</SMILES> Target product B: <SMILES>CC(C)N1C(=O)CC(=O)NC1=O</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",CC(C)NC(N)=O,CC(C)N1C(=O)CC(=O)NC1=O,"['CC(C)NC(N)=O.CCOC(=O)CC(=O)OCC', 'CC(C)N1C(=O)CC(=O)NC1=O.CC(C)NC(N)=O', 'CC(C)NC(N)=O.O=C(O)CC(=O)O', 'CC(C)NC(N)=O.CCOC(=O)CC(=O)OCC.[Na]', 'CC(C)NC(N)=O.COC(=O)CC(=O)OC']"
78,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>O=P(Cl)(Cl)Cl</SMILES> Target product B: <SMILES>CCCCc1nc(C=O)c(Cl)[nH]1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>O=P(Cl)(Cl)Cl</SMILES> Target product B: <SMILES>CCCCc1nc(C=O)c(Cl)[nH]1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>O=P(Cl)(Cl)Cl</SMILES> Target product B: <SMILES>CCCCc1nc(C=O)c(Cl)[nH]1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",O=P(Cl)(Cl)Cl,CCCCc1nc(C=O)c(Cl)[nH]1,"['CCCCC1=NC(=CN(C)C)C(=O)N1.O=P(Cl)(Cl)Cl', 'CCCCC(=N)OC.COC(=O)CN.COC(OC)N(C)C.Cl.O=P(Cl)(Cl)Cl']"
79,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>NC(=O)CC[C@H](N)C(=O)O</SMILES> Target product B: <SMILES>C[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)O</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>NC(=O)CC[C@H](N)C(=O)O</SMILES> Target product B: <SMILES>C[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)O</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>NC(=O)CC[C@H](N)C(=O)O</SMILES> Target product B: <SMILES>C[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)O</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",NC(=O)CC[C@H](N)C(=O)O,C[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)O,"['C[C@H](N)C(=O)O.NC(=O)CC[C@H](N)C(=O)O', 'COC(=O)[C@H](C)N.Cl.NC(=O)CC[C@H](N)C(=O)O', 'C[C@@H](Br)C(=O)O.NC(=O)CC[C@H](N)C(=O)O', 'C[C@@H](Cl)C(=O)O.NC(=O)CC[C@H](N)C(=O)O', 'C[C@H](NC(=O)OCc1ccccc1)C(=O)O.NC(=O)CC[C@H](N)C(=O)O', 'C[C@H](NC(=O)OC(C)(C)C)C(=O)O.NC(=O)CC[C@H](N)C(=O)O', 'CC(C)OP(=O)(N[C@@H](C)C(=O)O)OC(C)C.NC(=O)CC[C@H](N)C(=O)O', 'COP(=O)(N[C@@H](C)C(=O)O)OC.NC(=O)CC[C@H](N)C(=O)O', 'CCOP(=O)(N[C@@H](C)C(=O)O)OCC.NC(=O)CC[C@H](N)C(=O)O', 'C[C@H](N)C(=O)[O-].NC(=O)CC[C@H](N)C(=O)O', 'C[C@H](N)C(N)=O.NC(=O)CC[C@H](N)C(=O)O', 'COC(=O)[C@@H](C)N.Cl.NC(=O)CC[C@H](N)C(=O)O', 'COC(=O)[C@H](C)N.NC(=O)CC[C@H](N)C(=O)O', 'C[C@@H](C(=O)Cl)N1C(=O)c2ccccc2C1=O.NC(=O)CC[C@H](N)C(=O)O', 'C[C@@H](Br)C(=O)Cl.NC(=O)CC[C@H](N)C(=O)O', 'C[C@@H](O)C(=O)Cl.NC(=O)CC[C@H](N)C(=O)O', 'Cc1ccc(S(=O)(=O)O[C@H](C)C(=O)Cl)cc1.NC(=O)CC[C@H](N)C(=O)O', 'C[C@H](NC(=O)C(C)(C)C)C(=O)O.NC(=O)CC[C@H](N)C(=O)O']"
80,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>O=C(O)c1cc(Br)ccc1Cl</SMILES> Target product B: <SMILES>CC(C)(C)OC(=O)c1cc(Br)ccc1Cl</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>O=C(O)c1cc(Br)ccc1Cl</SMILES> Target product B: <SMILES>CC(C)(C)OC(=O)c1cc(Br)ccc1Cl</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>O=C(O)c1cc(Br)ccc1Cl</SMILES> Target product B: <SMILES>CC(C)(C)OC(=O)c1cc(Br)ccc1Cl</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",O=C(O)c1cc(Br)ccc1Cl,CC(C)(C)OC(=O)c1cc(Br)ccc1Cl,"['CC(C)(C)O.O=C(O)c1cc(Br)ccc1Cl', 'C=C(C)C.O=C(O)c1cc(Br)ccc1Cl', 'CC(C)(C)[O-].O=C(O)c1cc(Br)ccc1Cl.[K+]']"
81,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>COc1ncnc(C(F)(F)F)c1Br</SMILES> Target product B: <SMILES>COc1ncnc(C(F)(F)F)c1C=O</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>COc1ncnc(C(F)(F)F)c1Br</SMILES> Target product B: <SMILES>COc1ncnc(C(F)(F)F)c1C=O</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>COc1ncnc(C(F)(F)F)c1Br</SMILES> Target product B: <SMILES>COc1ncnc(C(F)(F)F)c1C=O</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",COc1ncnc(C(F)(F)F)c1Br,COc1ncnc(C(F)(F)F)c1C=O,"['CN(C)C=O.COc1ncnc(C(F)(F)F)c1Br', 'CCOC=O.COc1ncnc(C(F)(F)F)c1Br']"
82,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>COC(=O)c1cc([N+](=O)[O-])ccc1Br</SMILES> Target product B: <SMILES>COC(=O)c1cc([N+](=O)[O-])ccc1-c1c(OC)cccc1OC</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>COC(=O)c1cc([N+](=O)[O-])ccc1Br</SMILES> Target product B: <SMILES>COC(=O)c1cc([N+](=O)[O-])ccc1-c1c(OC)cccc1OC</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>COC(=O)c1cc([N+](=O)[O-])ccc1Br</SMILES> Target product B: <SMILES>COC(=O)c1cc([N+](=O)[O-])ccc1-c1c(OC)cccc1OC</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",COC(=O)c1cc([N+](=O)[O-])ccc1Br,COC(=O)c1cc([N+](=O)[O-])ccc1-c1c(OC)cccc1OC,"['COC(=O)c1cc([N+](=O)[O-])ccc1Br.COc1cccc(OC)c1', 'COC(=O)c1cc([N+](=O)[O-])ccc1Br.COc1cccc(OC)c1B(O)O']"
83,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>O=C(O)c1cc(Cl)ccc1O</SMILES> Target product B: <SMILES>COC(=O)c1cc(Cl)ccc1O</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>O=C(O)c1cc(Cl)ccc1O</SMILES> Target product B: <SMILES>COC(=O)c1cc(Cl)ccc1O</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>O=C(O)c1cc(Cl)ccc1O</SMILES> Target product B: <SMILES>COC(=O)c1cc(Cl)ccc1O</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",O=C(O)c1cc(Cl)ccc1O,COC(=O)c1cc(Cl)ccc1O,"['CI.Cc1cc(O)cc(C(=O)O)c1', 'CO.O=C(O)c1cc(Cl)ccc1O', 'CC(=O)Cl.O=C(O)c1cc(Cl)ccc1O']"
84,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>O=P(Cl)(Cl)Cl</SMILES> Target product B: <SMILES>CCOC(=O)c1cnc2ccc(F)cc2c1Cl</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>O=P(Cl)(Cl)Cl</SMILES> Target product B: <SMILES>CCOC(=O)c1cnc2ccc(F)cc2c1Cl</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>O=P(Cl)(Cl)Cl</SMILES> Target product B: <SMILES>CCOC(=O)c1cnc2ccc(F)cc2c1Cl</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",O=P(Cl)(Cl)Cl,CCOC(=O)c1cnc2ccc(F)cc2c1Cl,"['CCOC(=O)c1cc2cc(F)ccc2nc1O.O=P(Cl)(Cl)Cl', 'CCOC(=O)c1cnc2ccc(F)cc2c1O.O=P(Cl)(Cl)Cl']"
85,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>Nc1ccc(Cl)cc1Oc1c(Cl)cccc1Cl</SMILES> Target product B: <SMILES>CN1C(=O)C(C(=O)Nc2ccc(Cl)cc2Oc2c(Cl)cccc2Cl)C(=O)N(C)C1=S</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>Nc1ccc(Cl)cc1Oc1c(Cl)cccc1Cl</SMILES> Target product B: <SMILES>CN1C(=O)C(C(=O)Nc2ccc(Cl)cc2Oc2c(Cl)cccc2Cl)C(=O)N(C)C1=S</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>Nc1ccc(Cl)cc1Oc1c(Cl)cccc1Cl</SMILES> Target product B: <SMILES>CN1C(=O)C(C(=O)Nc2ccc(Cl)cc2Oc2c(Cl)cccc2Cl)C(=O)N(C)C1=S</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",Nc1ccc(Cl)cc1Oc1c(Cl)cccc1Cl,CN1C(=O)C(C(=O)Nc2ccc(Cl)cc2Oc2c(Cl)cccc2Cl)C(=O)N(C)C1=S,"['CCOC(=O)C1C(=O)N(C)C(=S)N(C)C1=O.Nc1ccc(Cl)cc1Oc1c(Cl)cccc1Cl', 'CCOC(=O)Cl.CN1C(=O)CC(=O)N(C)C1=S.Nc1ccc(Cl)cc1Oc1c(Cl)cccc1Cl']"
86,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>O=c1cc[nH]c(=O)[nH]1</SMILES> Target product B: <SMILES>O=c1[nH]cc(C(F)(F)F)c(=O)[nH]1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>O=c1cc[nH]c(=O)[nH]1</SMILES> Target product B: <SMILES>O=c1[nH]cc(C(F)(F)F)c(=O)[nH]1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>O=c1cc[nH]c(=O)[nH]1</SMILES> Target product B: <SMILES>O=c1[nH]cc(C(F)(F)F)c(=O)[nH]1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",O=c1cc[nH]c(=O)[nH]1,O=c1[nH]cc(C(F)(F)F)c(=O)[nH]1,"['FC(F)(F)I.O=c1cc[nH]c(=O)[nH]1', 'O=S(O)C(F)(F)F.O=c1cc[nH]c(=O)[nH]1.[Na]', 'O=S(O)C(F)(F)F.O=c1cc[nH]c(=O)[nH]1.[Zn]', 'O=C(O)C(F)(F)F.O=c1cc[nH]c(=O)[nH]1.[Na]', 'CN(C)C(=N)N(C)C.FC(F)(F)I.O=c1cc[nH]c(=O)[nH]1', 'FC(F)(F)Br.O=c1cc[nH]c(=O)[nH]1', 'O=S(=O)([O-])C(F)(F)F.O=[N+]([O-])c1cccc([S+](c2ccc(F)cc2)C(F)(F)F)c1.O=c1cc[nH]c(=O)[nH]1', 'FC(F)(F)[Hg]C(F)(F)F.O=c1cc[nH]c(=O)[nH]1', 'CC(C)(C)OC(=O)NNS(=O)(=O)C(F)(F)F.O=c1cc[nH]c(=O)[nH]1', 'O=S([O-])C(F)(F)F.O=c1cc[nH]c(=O)[nH]1.[Na+]']"
87,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>COC(=O)c1ccc(F)c(Br)n1</SMILES> Target product B: <SMILES>COC(=O)c1ccc(F)c(-c2c(F)cc(C(C)(C)O)cc2F)n1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>COC(=O)c1ccc(F)c(Br)n1</SMILES> Target product B: <SMILES>COC(=O)c1ccc(F)c(-c2c(F)cc(C(C)(C)O)cc2F)n1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>COC(=O)c1ccc(F)c(Br)n1</SMILES> Target product B: <SMILES>COC(=O)c1ccc(F)c(-c2c(F)cc(C(C)(C)O)cc2F)n1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",COC(=O)c1ccc(F)c(Br)n1,COC(=O)c1ccc(F)c(-c2c(F)cc(C(C)(C)O)cc2F)n1,"['CC(C)[Si](OC(C)(C)c1cc(F)cc(F)c1)(C(C)C)C(C)C.COC(=O)c1ccc(F)c(Br)n1', 'CC(C)[Si](OC(C)(C)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)c(F)c1)(C(C)C)C(C)C.COC(=O)c1ccc(F)c(Br)n1', 'CC(C)(O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)c(F)c1.COC(=O)c1ccc(F)c(Br)n1']"
88,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>O=Cc1ccc(F)c2ccccc12</SMILES> Target product B: <SMILES>O=Cc1ccc(Oc2ccccc2Cl)c2ccccc12</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>O=Cc1ccc(F)c2ccccc12</SMILES> Target product B: <SMILES>O=Cc1ccc(Oc2ccccc2Cl)c2ccccc12</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>O=Cc1ccc(F)c2ccccc12</SMILES> Target product B: <SMILES>O=Cc1ccc(Oc2ccccc2Cl)c2ccccc12</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",O=Cc1ccc(F)c2ccccc12,O=Cc1ccc(Oc2ccccc2Cl)c2ccccc12,"['O=Cc1ccc(F)c2ccccc12.Oc1ccccc1Cl', 'O=Cc1ccc(F)c2ccccc12.Oc1cccc(Cl)c1']"
89,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>Nc1cccc2ncccc12</SMILES> Target product B: <SMILES>CC(C)(C)OC(=O)Nc1cccc2ncccc12</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>Nc1cccc2ncccc12</SMILES> Target product B: <SMILES>CC(C)(C)OC(=O)Nc1cccc2ncccc12</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>Nc1cccc2ncccc12</SMILES> Target product B: <SMILES>CC(C)(C)OC(=O)Nc1cccc2ncccc12</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",Nc1cccc2ncccc12,CC(C)(C)OC(=O)Nc1cccc2ncccc12,"['CC(C)(C)OC(=O)OC(C)(C)C.Nc1cccc2ncccc12', 'CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.Nc1cccc2ncccc12']"
90,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>Nc1c(O)cccc1[N+](=O)[O-]</SMILES> Target product B: <SMILES>Nc1c(OCC2CO2)cccc1[N+](=O)[O-]</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>Nc1c(O)cccc1[N+](=O)[O-]</SMILES> Target product B: <SMILES>Nc1c(OCC2CO2)cccc1[N+](=O)[O-]</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>Nc1c(O)cccc1[N+](=O)[O-]</SMILES> Target product B: <SMILES>Nc1c(OCC2CO2)cccc1[N+](=O)[O-]</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",Nc1c(O)cccc1[N+](=O)[O-],Nc1c(OCC2CO2)cccc1[N+](=O)[O-],"['Nc1c(O)cccc1[N+](=O)[O-].O=[N+]([O-])c1cccc(S(=O)(=O)OC[C@@H]2CO2)c1', 'Cc1ccc(S(=O)(=O)OC[C@@H]2CO2)cc1.Nc1c(O)cccc1[N+](=O)[O-]', 'Nc1c(O)cccc1[N+](=O)[O-].OC[C@@H]1CO1', 'BrCC1CO1.Nc1c(O)cccc1[N+](=O)[O-]', 'Cc1ccc(S(=O)(=O)OC[C@H]2CO2)cc1.Nc1c(O)cccc1[N+](=O)[O-]', 'Cc1ccc(S(=O)(=O)OCC2CO2)cc1.Nc1c(O)cccc1[N+](=O)[O-]']"
91,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CC(C)NC(C)C</SMILES> Target product B: <SMILES>CCS(=O)(=O)Oc1ccc(C)cc1C(CCN(C(C)C)C(C)C)c1ccccc1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CC(C)NC(C)C</SMILES> Target product B: <SMILES>CCS(=O)(=O)Oc1ccc(C)cc1C(CCN(C(C)C)C(C)C)c1ccccc1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CC(C)NC(C)C</SMILES> Target product B: <SMILES>CCS(=O)(=O)Oc1ccc(C)cc1C(CCN(C(C)C)C(C)C)c1ccccc1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",CC(C)NC(C)C,CCS(=O)(=O)Oc1ccc(C)cc1C(CCN(C(C)C)C(C)C)c1ccccc1,"['CC(C)NC(C)C.CCS(=O)(=O)Oc1ccc(C)cc1C(CCI)c1ccccc1', 'CC(C)NC(C)C.CCS(=O)(=O)Oc1ccc(C)cc1C(CCC(C)S(=O)(=O)[O-])c1ccccc1']"
92,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>COc1ccc(CCO)cc1</SMILES> Target product B: <SMILES>COc1ccc(CCCl)cc1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>COc1ccc(CCO)cc1</SMILES> Target product B: <SMILES>COc1ccc(CCCl)cc1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>COc1ccc(CCO)cc1</SMILES> Target product B: <SMILES>COc1ccc(CCCl)cc1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",COc1ccc(CCO)cc1,COc1ccc(CCCl)cc1,"['COc1ccc(CCO)cc1.O=C(Cl)Cl', 'COc1ccc(CCO)cc1.O=S(Cl)Cl']"
93,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>O=Cc1ccc(O)cc1</SMILES> Target product B: <SMILES>O=Cc1ccc(OC2CCCC2)cc1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>O=Cc1ccc(O)cc1</SMILES> Target product B: <SMILES>O=Cc1ccc(OC2CCCC2)cc1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>O=Cc1ccc(O)cc1</SMILES> Target product B: <SMILES>O=Cc1ccc(OC2CCCC2)cc1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",O=Cc1ccc(O)cc1,O=Cc1ccc(OC2CCCC2)cc1,"['BrC1CCCC1.O=Cc1ccc(O)cc1', 'O=Cc1ccc(O)cc1.OC1CCCC1']"
94,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>Nc1ccc(F)c(F)c1</SMILES> Target product B: <SMILES>CC(=O)Nc1ccc(F)c(F)c1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>Nc1ccc(F)c(F)c1</SMILES> Target product B: <SMILES>CC(=O)Nc1ccc(F)c(F)c1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>Nc1ccc(F)c(F)c1</SMILES> Target product B: <SMILES>CC(=O)Nc1ccc(F)c(F)c1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",Nc1ccc(F)c(F)c1,CC(=O)Nc1ccc(F)c(F)c1,"['CC(=O)OC(C)=O.Nc1ccc(F)c(F)c1', 'CC(=O)Cl.Nc1ccc(F)c(F)c1']"
95,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CC(C)(C)OC(=O)NOCc1ccccc1</SMILES> Target product B: <SMILES>CC(C)(C)OC(=O)N(CCCCC#N)OCc1ccccc1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CC(C)(C)OC(=O)NOCc1ccccc1</SMILES> Target product B: <SMILES>CC(C)(C)OC(=O)N(CCCCC#N)OCc1ccccc1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CC(C)(C)OC(=O)NOCc1ccccc1</SMILES> Target product B: <SMILES>CC(C)(C)OC(=O)N(CCCCC#N)OCc1ccccc1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",CC(C)(C)OC(=O)NOCc1ccccc1,CC(C)(C)OC(=O)N(CCCCC#N)OCc1ccccc1,"['CC(C)(C)OC(=O)NOCc1ccccc1.N#CCCCCCl', 'CC(C)(C)OC(=O)NOCc1ccccc1.CC(Cl)CCC#N']"
96,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>O=[N+]([O-])c1ccc(O)cc1F</SMILES> Target product B: <SMILES>O=[N+]([O-])c1ccc(OCCN2CCOCC2)cc1F</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>O=[N+]([O-])c1ccc(O)cc1F</SMILES> Target product B: <SMILES>O=[N+]([O-])c1ccc(OCCN2CCOCC2)cc1F</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>O=[N+]([O-])c1ccc(O)cc1F</SMILES> Target product B: <SMILES>O=[N+]([O-])c1ccc(OCCN2CCOCC2)cc1F</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",O=[N+]([O-])c1ccc(O)cc1F,O=[N+]([O-])c1ccc(OCCN2CCOCC2)cc1F,"['Cl.ClCCN1CCOCC1.O=[N+]([O-])c1ccc(O)cc1F', 'ClCCN1CCOCC1.O=[N+]([O-])c1ccc(O)cc1F', 'O=[N+]([O-])c1ccc(O)cc1F.OCCN1CCOCC1']"
97,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>C#CCOC</SMILES> Target product B: <SMILES>COCC#Cc1cnc2c(ccn2S(=O)(=O)c2ccccc2)c1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>C#CCOC</SMILES> Target product B: <SMILES>COCC#Cc1cnc2c(ccn2S(=O)(=O)c2ccccc2)c1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>C#CCOC</SMILES> Target product B: <SMILES>COCC#Cc1cnc2c(ccn2S(=O)(=O)c2ccccc2)c1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",C#CCOC,COCC#Cc1cnc2c(ccn2S(=O)(=O)c2ccccc2)c1,"['C#CCOC.O=S(=O)(c1ccccc1)n1ccc2cc(I)cnc21', 'C#CCOC.O=S(=O)(c1ccccc1)n1ccc2cc(Br)cnc21']"
98,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>Brc1ccc(I)cc1</SMILES> Target product B: <SMILES>Brc1ccc(-c2cccnc2)cc1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>Brc1ccc(I)cc1</SMILES> Target product B: <SMILES>Brc1ccc(-c2cccnc2)cc1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>Brc1ccc(I)cc1</SMILES> Target product B: <SMILES>Brc1ccc(-c2cccnc2)cc1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",Brc1ccc(I)cc1,Brc1ccc(-c2cccnc2)cc1,"['Brc1ccc(I)cc1.OB(O)c1cccnc1', 'Brc1ccc(I)cc1.CC1(C)OB(c2cccnc2)OC1(C)C', 'Brc1ccc(I)cc1.c1cncc(B2OCCCO2)c1', 'Brc1ccc(I)cc1.Brc1cccnc1']"
99,"Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)O</SMILES> Target product B: <SMILES>CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)OCc1ccccc1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. The final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>. 
No explanations and other information. Only return the answer in the specified format. ","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)O</SMILES> Target product B: <SMILES>CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)OCc1ccccc1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A. - The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. You may think step by step, and the final answer should be formatted as follows: Reactant Set 1: <SMILES>[valid_SMILES_1]</SMILES>; Reactant Set 2: <SMILES>[valid_SMILES_2]</SMILES>.","Chemical Reasoning Task: Identify two distinct reactant pathways containing compound A that both synthesize target molecule B. Given: Initial reactant A: <SMILES>CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)O</SMILES> Target product B: <SMILES>CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)OCc1ccccc1</SMILES> Requirements: 1. Provide TWO different reactant sets that EACH: - Contain compound A.- The product B is formed in both cases. - Exclude solvents, catalysts, or other non-reactants. 2. Formatting rules: - Multiple reactants in a set separated by ""."". - Use SMILES. ",CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)O,CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)OCc1ccccc1,"['CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)O.Cc1ccc(S(=O)(=O)O)cc1.NCC(=O)OCc1ccccc1', 'CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)O.NCC(=O)OCc1ccccc1', 'CC(C)(C)OC(=O)NCC(=O)OCc1ccccc1.CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)O', 'CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)O.Cl.NCC(=O)OCc1ccccc1']"