problem
stringlengths 128
864
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Using Cc1cc(Nc2nc(Nc3cc(C)c(C4CCC(=O)CC4)cc3F)ncc2C(F)(F)F)n[nH]1, C1CCNCC1 to produce Cc1cc(Nc2nc(Nc3cc(C)c([C@H]4CC[C@H](N5CCCCC5)CC4)cc3F)ncc2C(F)(F)F)n[nH]1, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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CC(=O)O
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Using Cc1cc(Nc2nc(Nc3cc(C)c(C4CCC(=O)CC4)cc3F)ncc2C(F)(F)F)n[nH]1, C1CCNCC1 to produce Cc1cc(Nc2nc(Nc3cc(C)c([C@H]4CC[C@H](N5CCCCC5)CC4)cc3F)ncc2C(F)(F)F)n[nH]1, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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CC(=O)O
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Using O=C(O)COc1ccc(C(F)(F)F)cc1B(O)O, Cc1cnc(N)c(Br)c1 to produce Cc1cnc(N)c(-c2cc(C(F)(F)F)ccc2OCC(=O)O)c1, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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CO
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Using O=C(O)COc1ccc(C(F)(F)F)cc1B(O)O, Cc1cnc(N)c(Br)c1 to produce Cc1cnc(N)c(-c2cc(C(F)(F)F)ccc2OCC(=O)O)c1, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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CO
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Using CI, Cc1ccc(S(=O)(=O)n2cc3c4c(cccc42)[C@H]2OCC(=O)N[C@@H]2C3)cc1 to produce CN1CCO[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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CN(C)C=O, O
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Using CI, Cc1ccc(S(=O)(=O)n2cc3c4c(cccc42)[C@H]2OCC(=O)N[C@@H]2C3)cc1 to produce CN1CCO[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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CN(C)C=O, O
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Using O=C([O-])[O-], CC(C)(C)OC(=O)N1CCN(c2ccc(Nc3nc(Cc4c(Cl)cccc4Cl)c4ncn(COCC[Si](C)(C)C)c4c3C#N)c(Cl)c2)CC1 to produce NC(=O)c1c(Nc2ccc(N3CCNCC3)cc2Cl)nc(Cc2c(Cl)cccc2Cl)c2nc[nH]c12, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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O
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Using O=C([O-])[O-], CC(C)(C)OC(=O)N1CCN(c2ccc(Nc3nc(Cc4c(Cl)cccc4Cl)c4ncn(COCC[Si](C)(C)C)c4c3C#N)c(Cl)c2)CC1 to produce NC(=O)c1c(Nc2ccc(N3CCNCC3)cc2Cl)nc(Cc2c(Cl)cccc2Cl)c2nc[nH]c12, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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O
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Using CNC(=O)C(=O)c1ccc(OC)cc1 to produce CNC(=O)C(=O)c1ccc(O)cc1, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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ClCCl
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Using CNC(=O)C(=O)c1ccc(OC)cc1 to produce CNC(=O)C(=O)c1ccc(O)cc1, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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ClCCl
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Using [Br-], CC(C)(C)Cn1nnc2cc(N)ccc21 to produce CC(C)(C)Cn1nnc2c(Br)c(N)ccc21, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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ClC(Cl)Cl
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Using [Br-], CC(C)(C)Cn1nnc2cc(N)ccc21 to produce CC(C)(C)Cn1nnc2c(Br)c(N)ccc21, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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ClC(Cl)Cl
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Using [OH-], COc1ccc(-c2nc3ccccn3c2CC(N)=O)c2ccc(=O)[nH]c12 to produce COc1ccc(-c2nc3ccccn3c2CC(=O)O)c2ccc(=O)[nH]c12, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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O, CCO
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Using [OH-], COc1ccc(-c2nc3ccccn3c2CC(N)=O)c2ccc(=O)[nH]c12 to produce COc1ccc(-c2nc3ccccn3c2CC(=O)O)c2ccc(=O)[nH]c12, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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O, CCO
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Using COC=C(C)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C(C)C to produce CC(C)c1nc(-c2ccc(C(F)(F)F)cc2)sc1C(C)C=O, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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C1CCOC1
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Using COC=C(C)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C(C)C to produce CC(C)c1nc(-c2ccc(C(F)(F)F)cc2)sc1C(C)C=O, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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C1CCOC1
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Using BrC(Br)(Br)Br, OCc1cccc(OCc2nc3cc(F)ccc3s2)c1 to produce Fc1ccc2sc(COc3cccc(CBr)c3)nc2c1, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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C1CCOC1
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Using BrC(Br)(Br)Br, OCc1cccc(OCc2nc3cc(F)ccc3s2)c1 to produce Fc1ccc2sc(COc3cccc(CBr)c3)nc2c1, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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C1CCOC1
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Using CC(C)(C)OC(=O)N1CC2COCC(C1)N2C(=O)OCC1c2ccccc2-c2ccccc21 to produce O=C(OCC1c2ccccc2-c2ccccc21)N1C2CNCC1COC2, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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C1COCCO1, CCOCC
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Using CC(C)(C)OC(=O)N1CC2COCC(C1)N2C(=O)OCC1c2ccccc2-c2ccccc21 to produce O=C(OCC1c2ccccc2-c2ccccc21)N1C2CNCC1COC2, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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C1COCCO1, CCOCC
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Using COC(CNC(=O)C(CS)CC(C)C)OC to produce CC(C)CC(CS)C(=O)NCC=O, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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O
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Using COC(CNC(=O)C(CS)CC(C)C)OC to produce CC(C)CC(CS)C(=O)NCC=O, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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O
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Using O=C1SC(Cc2ccc(O)cc2)C(=O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1, COc1ccc2nc(CO)n(C)c2n1 to produce COc1ccc2nc(COc3ccc(CC4SC(=O)N(C(c5ccccc5)(c5ccccc5)c5ccccc5)C4=O)cc3)n(C)c2n1, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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Cc1ccccc1
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Using O=C1SC(Cc2ccc(O)cc2)C(=O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1, COc1ccc2nc(CO)n(C)c2n1 to produce COc1ccc2nc(COc3ccc(CC4SC(=O)N(C(c5ccccc5)(c5ccccc5)c5ccccc5)C4=O)cc3)n(C)c2n1, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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Cc1ccccc1
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Using CCCC(CCCCCCO)c1ccc(CC(C)C)cc1, BrC(Br)(Br)Br to produce CCCC(CCCCCCBr)c1ccc(CC(C)C)cc1, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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C1CCOC1
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Using CCCC(CCCCCCO)c1ccc(CC(C)C)cc1, BrC(Br)(Br)Br to produce CCCC(CCCCCCBr)c1ccc(CC(C)C)cc1, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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C1CCOC1
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Using O=C1OC2(CC(c3cccc(C(F)(F)F)c3)=NO2)c2ccccc21 to produce O=C(O)c1ccccc1-c1cc(-c2cccc(C(F)(F)F)c2)no1, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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C1COCCO1, O
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Using O=C1OC2(CC(c3cccc(C(F)(F)F)c3)=NO2)c2ccccc21 to produce O=C(O)c1ccccc1-c1cc(-c2cccc(C(F)(F)F)c2)no1, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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C1COCCO1, O
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Using N#CC(c1ccc(Cl)c(Cl)c1)c1c(Cl)cc([N+](=O)[O-])cc1Cl to produce N#CC(c1ccc(Cl)c(Cl)c1)c1c(Cl)cc(N)cc1Cl, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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CO
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Using N#CC(c1ccc(Cl)c(Cl)c1)c1c(Cl)cc([N+](=O)[O-])cc1Cl to produce N#CC(c1ccc(Cl)c(Cl)c1)c1c(Cl)cc(N)cc1Cl, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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CO
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Using CC1(C)CC(=O)C(Br)C(=O)C1, NC(N)=S to produce CC1(C)CC(=O)c2sc(N)nc2C1, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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CCO, O
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Using CC1(C)CC(=O)C(Br)C(=O)C1, NC(N)=S to produce CC1(C)CC(=O)c2sc(N)nc2C1, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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CCO, O
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Using C=C(C)Cc1cc(CC(=C)C)cc(-c2nc3ncccc3o2)c1 to produce CC(C)Cc1cc(CC(C)C)cc(-c2nc3ncccc3o2)c1, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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CO
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Using C=C(C)Cc1cc(CC(=C)C)cc(-c2nc3ncccc3o2)c1 to produce CC(C)Cc1cc(CC(C)C)cc(-c2nc3ncccc3o2)c1, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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CO
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Using COc1ccc2[nH]cc(SC3CCN(C)CC3)c2c1 to produce CN1CCC(Sc2c[nH]c3ccc(O)cc23)CC1, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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ClC(Cl)Cl
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Using COc1ccc2[nH]cc(SC3CCN(C)CC3)c2c1 to produce CN1CCC(Sc2c[nH]c3ccc(O)cc23)CC1, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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ClC(Cl)Cl
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Using CCOC(=O)c1cc2c(ncn2-c2cccc(-c3ccsc3)c2)[nH]1 to produce OCc1cc2c(ncn2-c2cccc(-c3ccsc3)c2)[nH]1, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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C1CCOC1
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Using CCOC(=O)c1cc2c(ncn2-c2cccc(-c3ccsc3)c2)[nH]1 to produce OCc1cc2c(ncn2-c2cccc(-c3ccsc3)c2)[nH]1, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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C1CCOC1
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Using CN1CC23c4ccccc4C(c4ccccc4C2(Br)C1=O)C3Br to produce CN1CC23CC(c4ccccc4C2C1=O)c1ccccc13, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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c1ccccc1
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Using CN1CC23c4ccccc4C(c4ccccc4C2(Br)C1=O)C3Br to produce CN1CC23CC(c4ccccc4C2C1=O)c1ccccc13, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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c1ccccc1
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Using CCOC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NC(=O)NCc1ccc(NC(=O)OC(C)(C)C)cc1, CC(=O)OC(C)=O to produce CCOC(=O)[C@@H](CCCNC(C)=O)NC(=O)NCc1ccc(NC(=O)OC(C)(C)C)cc1, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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CO
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Using CCOC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NC(=O)NCc1ccc(NC(=O)OC(C)(C)C)cc1, CC(=O)OC(C)=O to produce CCOC(=O)[C@@H](CCCNC(C)=O)NC(=O)NCc1ccc(NC(=O)OC(C)(C)C)cc1, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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CO
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Using C[C@@H](OC[C@H]1CO1)c1ccccc1Br, C=CC(=O)OC to produce COC(=O)C=Cc1ccccc1[C@@H](C)OC[C@H]1CO1, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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CC#N, CCN(CC)CC
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Using C[C@@H](OC[C@H]1CO1)c1ccccc1Br, C=CC(=O)OC to produce COC(=O)C=Cc1ccccc1[C@@H](C)OC[C@H]1CO1, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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CC#N, CCN(CC)CC
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Using O=C(OCc1ccccc1)N1CCc2ccccc2C1c1cc(Cl)ccc1O, N#CCCl to produce N#CCOc1ccc(Cl)cc1C1c2ccccc2CCN1C(=O)OCc1ccccc1, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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CS(C)=O
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Using O=C(OCc1ccccc1)N1CCc2ccccc2C1c1cc(Cl)ccc1O, N#CCCl to produce N#CCOc1ccc(Cl)cc1C1c2ccccc2CCN1C(=O)OCc1ccccc1, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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CS(C)=O
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Using C=C(OCC)[Sn](CCCC)(CCCC)CCCC, CCOC(=O)/C=C/c1ccc(OCc2ccccc2)cc1Br to produce CCOC(=O)/C=C/c1ccc(OCc2ccccc2)cc1C(C)=O, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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O, CN(C)C=O
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Using C=C(OCC)[Sn](CCCC)(CCCC)CCCC, CCOC(=O)/C=C/c1ccc(OCc2ccccc2)cc1Br to produce CCOC(=O)/C=C/c1ccc(OCc2ccccc2)cc1C(C)=O, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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O, CN(C)C=O
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Using CCCCBr, Cc1cc(O)cc(C)c1[N+](=O)[O-] to produce CCCCOc1cc(C)c([N+](=O)[O-])c(C)c1, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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O, CN(C)C=O
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Using CCCCBr, Cc1cc(O)cc(C)c1[N+](=O)[O-] to produce CCCCOc1cc(C)c([N+](=O)[O-])c(C)c1, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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O, CN(C)C=O
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Using O=Cc1ccc(Cc2ccccc2F)s1 to produce OCc1ccc(Cc2ccccc2F)s1, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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CCO, O
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Using O=Cc1ccc(Cc2ccccc2F)s1 to produce OCc1ccc(Cc2ccccc2F)s1, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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CCO, O
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Using CNc1ccc(C(=O)c2ccc(Cl)cc2)cn1, BrBr to produce CNc1ncc(C(=O)c2ccc(Cl)cc2)cc1Br, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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CC(=O)O
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Using CNc1ccc(C(=O)c2ccc(Cl)cc2)cn1, BrBr to produce CNc1ncc(C(=O)c2ccc(Cl)cc2)cc1Br, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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CC(=O)O
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Using COc1ccc(C(=O)Cl)cc1, CCOC(=O)CCc1ccc(OC)cc1OC to produce CCOC(=O)CCc1cc(C(=O)c2ccc(OC)cc2)c(OC)cc1OC, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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ClCCCl
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Using COc1ccc(C(=O)Cl)cc1, CCOC(=O)CCc1ccc(OC)cc1OC to produce CCOC(=O)CCc1cc(C(=O)c2ccc(OC)cc2)c(OC)cc1OC, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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ClCCCl
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Using CN1CCCC(CC(C#N)c2ccc(Cl)cc2Cl)C1, ClCn1cncn1 to produce CN1CCCC(CC(C#N)(Cn2cncn2)c2ccc(Cl)cc2Cl)C1, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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CS(C)=O
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Using CN1CCCC(CC(C#N)c2ccc(Cl)cc2Cl)C1, ClCn1cncn1 to produce CN1CCCC(CC(C#N)(Cn2cncn2)c2ccc(Cl)cc2Cl)C1, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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CS(C)=O
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Using CNC(=O)c1cc(F)ccc1[N+](=O)[O-] to produce CNC(=O)c1cc(F)ccc1N, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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CO
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Using CNC(=O)c1cc(F)ccc1[N+](=O)[O-] to produce CNC(=O)c1cc(F)ccc1N, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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CO
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Using Cc1cc(C(=O)Cl)ccc1Br, COc1ccccc1 to produce COc1ccc(C(=O)c2ccc(Br)c(C)c2)cc1, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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O
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Using Cc1cc(C(=O)Cl)ccc1Br, COc1ccccc1 to produce COc1ccc(C(=O)c2ccc(Br)c(C)c2)cc1, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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O
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Using CCOC(CC)(OCC)OCC, Nc1cc([N+](=O)[O-])ccc1O to produce CCc1nc2cc([N+](=O)[O-])ccc2o1, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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CCO
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Using CCOC(CC)(OCC)OCC, Nc1cc([N+](=O)[O-])ccc1O to produce CCc1nc2cc([N+](=O)[O-])ccc2o1, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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CCO
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Using CC(=O)OCc1ccc2sc(S(N)(=O)=O)cc2c1 to produce NS(=O)(=O)c1cc2cc(CO)ccc2s1, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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CO
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Using CC(=O)OCc1ccc2sc(S(N)(=O)=O)cc2c1 to produce NS(=O)(=O)c1cc2cc(CO)ccc2s1, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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CO
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Using C=CC[C@]1(c2ccccc2)CCN([C@@H](C)c2ccc(Br)cc2)C(=O)O1, Nc1ccc(B(O)O)cn1 to produce C=CC[C@]1(c2ccccc2)CCN([C@@H](C)c2ccc(-c3ccc(N)nc3)cc2)C(=O)O1, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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C1COCCO1
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Using C=CC[C@]1(c2ccccc2)CCN([C@@H](C)c2ccc(Br)cc2)C(=O)O1, Nc1ccc(B(O)O)cn1 to produce C=CC[C@]1(c2ccccc2)CCN([C@@H](C)c2ccc(-c3ccc(N)nc3)cc2)C(=O)O1, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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C1COCCO1
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Using COC(=O)C(O)=CC(=O)c1ccc(Cl)c(Cl)c1 to produce O=C(O)C(O)=CC(=O)c1ccc(Cl)c(Cl)c1, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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CCO
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Using COC(=O)C(O)=CC(=O)c1ccc(Cl)c(Cl)c1 to produce O=C(O)C(O)=CC(=O)c1ccc(Cl)c(Cl)c1, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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CCO
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Using Cc1c(N(Cc2ccc(F)c(C(F)(F)F)c2)S(=O)(=O)c2ccc(C(=O)O)cc2)sc2ccccc12, CO to produce COC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(F)c(C(F)(F)F)c2)c2sc3ccccc3c2C)cc1, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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CCOC(C)=O
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Using Cc1c(N(Cc2ccc(F)c(C(F)(F)F)c2)S(=O)(=O)c2ccc(C(=O)O)cc2)sc2ccccc12, CO to produce COC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(F)c(C(F)(F)F)c2)c2sc3ccccc3c2C)cc1, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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CCOC(C)=O
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Using COc1ccc2nc([S@@](=O)Cc3ncc(C)c(OC)c3C)[nH]c2c1, O=C(O)c1cccc(Cl)c1 to produce COc1ccc2nc([S@@](=O)Cc3nc(C)cc(OC)c3C)[nH]c2c1, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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ClCCl
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Using COc1ccc2nc([S@@](=O)Cc3ncc(C)c(OC)c3C)[nH]c2c1, O=C(O)c1cccc(Cl)c1 to produce COc1ccc2nc([S@@](=O)Cc3nc(C)cc(OC)c3C)[nH]c2c1, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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ClCCl
|
Using COc1ccc(CN2Cc3nc(S(C)(=O)=O)nc(Nc4cccc(C)c4)c3C2=O)c(OC)c1, CC(C)(C)OC(=O)NCCN to produce COc1ccc(CN2Cc3nc(NCCNC(=O)OC(C)(C)C)nc(Nc4cccc(C)c4)c3C2=O)c(OC)c1, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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CC(=O)N(C)C, CCN(CC)CC
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Using COc1ccc(CN2Cc3nc(S(C)(=O)=O)nc(Nc4cccc(C)c4)c3C2=O)c(OC)c1, CC(C)(C)OC(=O)NCCN to produce COc1ccc(CN2Cc3nc(NCCNC(=O)OC(C)(C)C)nc(Nc4cccc(C)c4)c3C2=O)c(OC)c1, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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CC(=O)N(C)C, CCN(CC)CC
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Using OCc1ccccc1, CC(C)(C)OC(=O)NCC(=O)O to produce CC(C)(C)OC(=O)NCC(=O)OCc1ccccc1, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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ClCCl, ClCCCl
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Using OCc1ccccc1, CC(C)(C)OC(=O)NCC(=O)O to produce CC(C)(C)OC(=O)NCC(=O)OCc1ccccc1, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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ClCCl, ClCCCl
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Using Nc1cccc(Oc2ccc3nc(NC(=O)C4CC4)[nH]c3c2)c1, CC(C)(C#N)c1cccc(C(=O)O)c1 to produce CC(C)(C#N)c1cccc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)[nH]c4c3)c2)c1, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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c1ccncc1
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Using Nc1cccc(Oc2ccc3nc(NC(=O)C4CC4)[nH]c3c2)c1, CC(C)(C#N)c1cccc(C(=O)O)c1 to produce CC(C)(C#N)c1cccc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)[nH]c4c3)c2)c1, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
|
c1ccncc1
|
Using NCCOCCO, CC(C)(C)OC(=O)n1c(-c2ccc(Cl)c3c2C(=O)NC3)cc2cc(C=O)ccc21 to produce CC(C)(C)OC(=O)n1c(-c2ccc(Cl)c3c2C(=O)NC3)cc2cc(CNCCOCCO)ccc21, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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ClCCl
|
Using NCCOCCO, CC(C)(C)OC(=O)n1c(-c2ccc(Cl)c3c2C(=O)NC3)cc2cc(C=O)ccc21 to produce CC(C)(C)OC(=O)n1c(-c2ccc(Cl)c3c2C(=O)NC3)cc2cc(CNCCOCCO)ccc21, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
|
ClCCl
|
Using COc1ccc(C(=O)CCCl)cc1 to produce C=CC(=O)c1ccc(O)cc1, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
|
ClCCl
|
Using COc1ccc(C(=O)CCCl)cc1 to produce C=CC(=O)c1ccc(O)cc1, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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ClCCl
|
Using C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)CCN1, O=C(Cl)c1ccccn1 to produce C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)CCN1C(=O)c1ccccn1, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
|
CCOC(C)=O, CC#N
|
Using C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)CCN1, O=C(Cl)c1ccccn1 to produce C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)CCN1C(=O)c1ccccn1, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
|
CCOC(C)=O, CC#N
|
Using O=[N+]([O-])c1ccccc1Cl, [S-][S-] to produce O=[N+]([O-])c1ccccc1SSc1ccccc1[N+](=O)[O-], please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
|
O
|
Using O=[N+]([O-])c1ccccc1Cl, [S-][S-] to produce O=[N+]([O-])c1ccccc1SSc1ccccc1[N+](=O)[O-], please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
|
O
|
Using COC(=O)[C@@H](C)Oc1ccc(Cl)c(Cn2c(C)c(-c3noc4cc(OC)ccc34)c3ccc(OC(F)(F)F)cc32)c1 to produce COc1ccc2c(-c3c(C)n(Cc4cc(O[C@H](C)C(=O)O)ccc4Cl)c4cc(OC(F)(F)F)ccc34)noc2c1, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
|
CO
|
Using COC(=O)[C@@H](C)Oc1ccc(Cl)c(Cn2c(C)c(-c3noc4cc(OC)ccc34)c3ccc(OC(F)(F)F)cc32)c1 to produce COc1ccc2c(-c3c(C)n(Cc4cc(O[C@H](C)C(=O)O)ccc4Cl)c4cc(OC(F)(F)F)ccc34)noc2c1, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
|
CO
|
Using CC(C)(C)OC(=O)CNCCC(=O)OCc1cc(F)c(F)cc1-c1ccc2nc(N)nc(C(=O)N3Cc4ccccc4C3)c2c1 to produce Nc1nc(C(=O)N2Cc3ccccc3C2)c2cc(-c3cc(F)c(F)cc3COC(=O)[C@H](N)CO)ccc2n1, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
|
C1COCCO1, ClCCl
|
Using CC(C)(C)OC(=O)CNCCC(=O)OCc1cc(F)c(F)cc1-c1ccc2nc(N)nc(C(=O)N3Cc4ccccc4C3)c2c1 to produce Nc1nc(C(=O)N2Cc3ccccc3C2)c2cc(-c3cc(F)c(F)cc3COC(=O)[C@H](N)CO)ccc2n1, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
|
C1COCCO1, ClCCl
|
Using COc1ccccc1[C@]1(O)CCC(c2ccccc2)(c2ccccc2)[C@H]2CN(C(=O)[C@@H](OC(C)=O)c3ccccc3)C[C@H]21 to produce COc1ccccc1[C@]1(O)CCC(c2ccccc2)(c2ccccc2)[C@H]2CN(C(=O)[C@@H](O)c3ccccc3)C[C@H]21, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
|
CCO, O
|
Using COc1ccccc1[C@]1(O)CCC(c2ccccc2)(c2ccccc2)[C@H]2CN(C(=O)[C@@H](OC(C)=O)c3ccccc3)C[C@H]21 to produce COc1ccccc1[C@]1(O)CCC(c2ccccc2)(c2ccccc2)[C@H]2CN(C(=O)[C@@H](O)c3ccccc3)C[C@H]21, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
|
CCO, O
|
Using O=C(NC1CCNCC1)c1ccc(-c2cccc(F)c2)nc1, O=C(c1ccc(Cl)nc1)N1CCOCC1 to produce O=C(NC1CCN(c2ccc(C(=O)N3CCOCC3)cn2)CC1)c1ccc(-c2cccc(F)c2)nc1, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
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O, CN1CCCC1=O
|
Using O=C(NC1CCNCC1)c1ccc(-c2cccc(F)c2)nc1, O=C(c1ccc(Cl)nc1)N1CCOCC1 to produce O=C(NC1CCN(c2ccc(C(=O)N3CCOCC3)cn2)CC1)c1ccc(-c2cccc(F)c2)nc1, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
|
O, CN1CCCC1=O
|
Using CCOC(=O)CCCCCCN(Cc1ccc(/C=C/c2ccccc2)cc1)S(C)(=O)=O to produce CCOC(=O)CCCCCCN(Cc1ccc(CCc2ccccc2)cc1)S(C)(=O)=O, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
|
CCOC(C)=O, CO
|
Using CCOC(=O)CCCCCCN(Cc1ccc(/C=C/c2ccccc2)cc1)S(C)(=O)=O to produce CCOC(=O)CCCCCCN(Cc1ccc(CCc2ccccc2)cc1)S(C)(=O)=O, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
|
CCOC(C)=O, CO
|
Using Cc1ccc(F)cc1N1CCN(c2cc(Cl)c(C(=O)NCCCN3CCCC3=O)cc2[N+](=O)[O-])CC1 to produce Cc1ccc(F)cc1N1CCN(c2cc(Cl)c(C(=O)NCCCN3CCCC3=O)cc2N)CC1, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
|
CCO, CC(=O)O
|
Using Cc1ccc(F)cc1N1CCN(c2cc(Cl)c(C(=O)NCCCN3CCCC3=O)cc2[N+](=O)[O-])CC1 to produce Cc1ccc(F)cc1N1CCN(c2cc(Cl)c(C(=O)NCCCN3CCCC3=O)cc2N)CC1, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format.
|
CCO, CC(=O)O
|
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