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uspto_yield

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The reaction yield of a reaction with the reaction SMILES string CC(C)N.CO.O=C1CCC(c2ccc(OCC3CO3)cc2)=NN1>>CC(C)NCC(O)COc1ccc(C2=NNC(=O)CC2)cc1 is 100\%.
The reaction yield of a reaction with the reaction SMILES string CC(C)N.CO.O=C1CCC(c2ccc(OCC3CO3)cc2)=NN1>>CC(C)NCC(O)COc1ccc(C2=NNC(=O)CC2)cc1 is 100\%.
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The reaction yield of a reaction with the RXNSMILES CC(=O)c1ccco1.CC(C)=O.Cl.Nc1ccc(Cl)c(Cl)c1.O.O=N[O-].[Na+]>>CC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 is 35\%.
The reaction yield of a reaction with the RXNSMILES CC(=O)c1ccco1.CC(C)=O.Cl.Nc1ccc(Cl)c(Cl)c1.O.O=N[O-].[Na+]>>CC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 is 35\%.
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The reaction yield of a reaction with the reaction SMILES CC(O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1.CO.O.[Pd]>>CC(O)c1ccc(-c2ccc(N)cc2)o1 is 71\%.
The reaction yield of a reaction with the reaction SMILES CC(O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1.CO.O.[Pd]>>CC(O)c1ccc(-c2ccc(N)cc2)o1 is 71\%.
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The reaction yield of a reaction with the RXNSMILES CCC(=O)c1ccc(-c2ccc(Cl)cc2)o1.CO.[BH4-].[Na+]>>CCC(O)c1ccc(-c2ccc(Cl)cc2)o1 is 97\%.
The reaction yield of a reaction with the RXNSMILES CCC(=O)c1ccc(-c2ccc(Cl)cc2)o1.CO.[BH4-].[Na+]>>CCC(O)c1ccc(-c2ccc(Cl)cc2)o1 is 97\%.
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The reaction yield of a reaction with the reaction SMILES string CC(=O)O.COc1ccc2c(c1)CCC(=O)C2CC(=O)c1ccccc1.Nc1ccc(O)c(C(=O)O)c1>>COc1ccc2c(c1)CCc1c-2cc(-c2ccccc2)n1-c1ccc(O)c(C(=O)O)c1 is 66\%.
The reaction yield of a reaction with the reaction SMILES string CC(=O)O.COc1ccc2c(c1)CCC(=O)C2CC(=O)c1ccccc1.Nc1ccc(O)c(C(=O)O)c1>>COc1ccc2c(c1)CCc1c-2cc(-c2ccccc2)n1-c1ccc(O)c(C(=O)O)c1 is 66\%.
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The yield of a reaction with the RXNSMILES Cc1ccc(C)c(O)c1C.O>>CC1=CC(=O)C(C)=C(C)C1=O is 29\%.
The yield of a reaction with the RXNSMILES Cc1ccc(C)c(O)c1C.O>>CC1=CC(=O)C(C)=C(C)C1=O is 29\%.
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The reaction yield of a reaction with the RXNSMILES C1CC2CNCC1O2.Cl.O.O=C(Cl)c1cccnc1.[Na+].[OH-]>>O=C(c1cccnc1)N1CC2CCC(C1)O2 is 46\%.
The reaction yield of a reaction with the RXNSMILES C1CC2CNCC1O2.Cl.O.O=C(Cl)c1cccnc1.[Na+].[OH-]>>O=C(c1cccnc1)N1CC2CCC(C1)O2 is 46\%.
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The yield of a reaction with the reaction SMILES string CCOC(C)=O.CS(N)(=O)=O.O=C(Cl)CCCCBr>>CS(=O)(=O)NC(=O)CCCCBr is 75\%.
The yield of a reaction with the reaction SMILES string CCOC(C)=O.CS(N)(=O)=O.O=C(Cl)CCCCBr>>CS(=O)(=O)NC(=O)CCCCBr is 75\%.
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The reaction yield of a reaction with the reaction SMILES CCC1(CC)C(=O)N(CC(O)Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)N(CC(O)Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O.CCCCCCCCCCCCCCCCCC(=O)Cl.Cl>>CCCCCCCCCCCCCCCCCC(=O)OC(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CN1C(=O)N(CC(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)OC(=O)CCCCCCCCCCCCCCCCC)C(...
The reaction yield of a reaction with the reaction SMILES CCC1(CC)C(=O)N(CC(O)Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)N(CC(O)Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O.CCCCCCCCCCCCCCCCCC(=O)Cl.Cl>>CCCCCCCCCCCCCCCCCC(=O)OC(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CN1C(=O)N(CC(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)OC(=O)CCCCCCCCCCCCCCCCC)C(...
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The reaction yield of a reaction with the reaction SMILES (RXNSMILES) CCOCC.COC(=O)Cl.O.O=C(O)[C@@H]1CSC(c2ccccc2)N1.O=C([O-])O.O=C([O-])[O-].[Na+]>>COC(=O)N1C(c2ccccc2)SC[C@H]1C(=O)O is 97\%.
The reaction yield of a reaction with the reaction SMILES (RXNSMILES) CCOCC.COC(=O)Cl.O.O=C(O)[C@@H]1CSC(c2ccccc2)N1.O=C([O-])O.O=C([O-])[O-].[Na+]>>COC(=O)N1C(c2ccccc2)SC[C@H]1C(=O)O is 97\%.
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The yield of a reaction with the reaction SMILES string CN(C)C=O.COC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1.COS(=O)(=O)OC.O.[Na+].[OH-]>>COC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C is 95\%.
The yield of a reaction with the reaction SMILES string CN(C)C=O.COC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1.COS(=O)(=O)OC.O.[Na+].[OH-]>>COC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C is 95\%.
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The yield of a reaction with the reaction SMILES CCO.CSC1NC(=O)N(C)C(=O)N1N=C(C)C.Cc1ccc(S(=O)(=O)O)cc1>>CSC1NC(=O)N(C)C(=O)N1N is 95\%.
The yield of a reaction with the reaction SMILES CCO.CSC1NC(=O)N(C)C(=O)N1N=C(C)C.Cc1ccc(S(=O)(=O)O)cc1>>CSC1NC(=O)N(C)C(=O)N1N is 95\%.
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The reaction yield of a reaction with the RXNSMILES CC(=O)O.CC(=O)OC(C)=O.Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1NC(=O)CF.O=C([O-])[O-].[K+]>>Cc1ccccc1-n1c(CF)nc2ccc([N+](=O)[O-])cc2c1=O is 99\%.
The reaction yield of a reaction with the RXNSMILES CC(=O)O.CC(=O)OC(C)=O.Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1NC(=O)CF.O=C([O-])[O-].[K+]>>Cc1ccccc1-n1c(CF)nc2ccc([N+](=O)[O-])cc2c1=O is 99\%.
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The reaction yield of a reaction with the reaction SMILES string C1COCCO1.O=C(Cl)c1ccccc1.O=c1[nH]cc(F)c(=O)[nH]1.c1ccncc1>>O=C(c1ccccc1)n1cc(F)c(=O)[nH]c1=O is 43\%.
The reaction yield of a reaction with the reaction SMILES string C1COCCO1.O=C(Cl)c1ccccc1.O=c1[nH]cc(F)c(=O)[nH]1.c1ccncc1>>O=C(c1ccccc1)n1cc(F)c(=O)[nH]c1=O is 43\%.
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The yield of a reaction with the reaction SMILES string C1COCCO1.CCO.O=C([O-])[O-].O=S(=O)(Cl)c1ccccc1.O=c1[nH]cc(F)c(=O)[nH]1.[K+]>>O=c1[nH]c(=O)n(S(=O)(=O)c2ccccc2)cc1F is 55\%.
The yield of a reaction with the reaction SMILES string C1COCCO1.CCO.O=C([O-])[O-].O=S(=O)(Cl)c1ccccc1.O=c1[nH]cc(F)c(=O)[nH]1.[K+]>>O=c1[nH]c(=O)n(S(=O)(=O)c2ccccc2)cc1F is 55\%.
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The yield of a reaction with the reaction SMILES string Cc1cc(C)c(Cc2ccccc2)c(=O)o1.Cl.NO.Nc1ccccn1>>Cc1cc(C)n(O)c(=O)c1Cc1ccccc1 is 30\%.
The yield of a reaction with the reaction SMILES string Cc1cc(C)c(Cc2ccccc2)c(=O)o1.Cl.NO.Nc1ccccn1>>Cc1cc(C)n(O)c(=O)c1Cc1ccccc1 is 30\%.
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The reaction yield of a reaction with the reaction SMILES string C1CC2C3CCC(CC3)C2C1.ClCCl.[Al+3].[Cl-]>>C1CC2CC3CCC2C(C1)C3 is 42\%.
The reaction yield of a reaction with the reaction SMILES string C1CC2C3CCC(CC3)C2C1.ClCCl.[Al+3].[Cl-]>>C1CC2CC3CCC2C(C1)C3 is 42\%.
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The yield of a reaction with the reaction SMILES (RXNSMILES) COC(Cl)Cl.COc1cccc2c1CCN(C)C2.ClCCl.Cl[Ti](Cl)(Cl)Cl.O.[Na+].[OH-]>>COc1ccc(C=O)c2c1CCN(C)C2 is 74\%.
The yield of a reaction with the reaction SMILES (RXNSMILES) COC(Cl)Cl.COc1cccc2c1CCN(C)C2.ClCCl.Cl[Ti](Cl)(Cl)Cl.O.[Na+].[OH-]>>COc1ccc(C=O)c2c1CCN(C)C2 is 74\%.
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The reaction yield of a reaction with the RXNSMILES CCCBr.CO.C[O-].O.Oc1c(-c2ccccc2)n[nH]c1-c1ccccc1.[Na+]>>CCCOc1c(-c2ccccc2)n[nH]c1-c1ccccc1 is 99\%.
The reaction yield of a reaction with the RXNSMILES CCCBr.CO.C[O-].O.Oc1c(-c2ccccc2)n[nH]c1-c1ccccc1.[Na+]>>CCCOc1c(-c2ccccc2)n[nH]c1-c1ccccc1 is 99\%.
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The reaction yield of a reaction with the reaction SMILES (RXNSMILES) C1CCOC1.COC(OC)C1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1.CON.Cl.O>>CON=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1 is 82\%.
The reaction yield of a reaction with the reaction SMILES (RXNSMILES) C1CCOC1.COC(OC)C1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1.CON.Cl.O>>CON=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1 is 82\%.
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The reaction yield of a reaction with the reaction SMILES string BrCc1ccccc1.C=CCC=CCP(=O)(OCC)OCC.CC=CCP(=O)(OCC)OCC.CI>>C=CCC=CC(C)P(=O)(OCC)OCC is 93\%.
The reaction yield of a reaction with the reaction SMILES string BrCc1ccccc1.C=CCC=CCP(=O)(OCC)OCC.CC=CCP(=O)(OCC)OCC.CI>>C=CCC=CC(C)P(=O)(OCC)OCC is 93\%.
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The yield of a reaction with the RXNSMILES CCN(CC)CC.CN(C)C=O.C[C@@]1(Cl)CS[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)O.O=[N+]([O-])c1ccc(CBr)cc1>>C[C@@]1(Cl)CS[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1 is 94\%.
The yield of a reaction with the RXNSMILES CCN(CC)CC.CN(C)C=O.C[C@@]1(Cl)CS[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)O.O=[N+]([O-])c1ccc(CBr)cc1>>C[C@@]1(Cl)CS[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1 is 94\%.
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The reaction yield of a reaction with the reaction SMILES CC(=O)Cl.Cn1c([N+](=O)[O-])cnc1C1=CNN(N)O1.O.c1ccccc1.c1ccncc1>>CC(=O)NN1NC=C(c2ncc([N+](=O)[O-])n2C)O1 is 56\%.
The reaction yield of a reaction with the reaction SMILES CC(=O)Cl.Cn1c([N+](=O)[O-])cnc1C1=CNN(N)O1.O.c1ccccc1.c1ccncc1>>CC(=O)NN1NC=C(c2ncc([N+](=O)[O-])n2C)O1 is 56\%.
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The yield of a reaction with the RXNSMILES COC(=O)c1ccc(C(F)(F)F)cc1C(F)(F)F.NCc1ccccn1>>O=C(NCc1ccccn1)c1ccc(C(F)(F)F)cc1C(F)(F)F is 62\%.
The yield of a reaction with the RXNSMILES COC(=O)c1ccc(C(F)(F)F)cc1C(F)(F)F.NCc1ccccn1>>O=C(NCc1ccccn1)c1ccc(C(F)(F)F)cc1C(F)(F)F is 62\%.
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The reaction yield of a reaction with the reaction SMILES CNN.CO.COC(=O)C(C(C)=O)C(=O)OC.C[O-].[Na+]>>COC(=O)Cc1cc(O)n(C)n1 is 35\%.
The reaction yield of a reaction with the reaction SMILES CNN.CO.COC(=O)C(C(C)=O)C(=O)OC.C[O-].[Na+]>>COC(=O)Cc1cc(O)n(C)n1 is 35\%.
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The yield of a reaction with the reaction SMILES string C=CCC1(Cl)C(=O)CCCC1=O.Cc1ccccc1C>>C=CCC1=CCCC1=O is 50\%.
The yield of a reaction with the reaction SMILES string C=CCC1(Cl)C(=O)CCCC1=O.Cc1ccccc1C>>C=CCC1=CCCC1=O is 50\%.
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The reaction yield of a reaction with the reaction SMILES (RXNSMILES) Br.CC(=O)O.COc1ccc(C(=O)C(=O)c2ccccc2)cc1>>O=C(C(=O)c1ccc(O)cc1)c1ccccc1 is 64\%.
The reaction yield of a reaction with the reaction SMILES (RXNSMILES) Br.CC(=O)O.COc1ccc(C(=O)C(=O)c2ccccc2)cc1>>O=C(C(=O)c1ccc(O)cc1)c1ccccc1 is 64\%.
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The yield of a reaction with the reaction SMILES string CC(C)C(C)(N)C#N.ClCCl.O=C1OC(=O)c2ccccc21>>CC(C)C(C)(C#N)NC(=O)c1ccccc1C(=O)O is 90\%.
The yield of a reaction with the reaction SMILES string CC(C)C(C)(N)C#N.ClCCl.O=C1OC(=O)c2ccccc21>>CC(C)C(C)(C#N)NC(=O)c1ccccc1C(=O)O is 90\%.
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The reaction yield of a reaction with the reaction SMILES (RXNSMILES) CC(O)C(C)OC1CCNCC1.CCC(C)=O.CCN(CC)CC.FC(F)(F)c1ccc2c(c1)N(CCCCl)c1ccccc1S2.[I-].[Na+]>>CC(O)C(C)OC1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 is 48\%.
The reaction yield of a reaction with the reaction SMILES (RXNSMILES) CC(O)C(C)OC1CCNCC1.CCC(C)=O.CCN(CC)CC.FC(F)(F)c1ccc2c(c1)N(CCCCl)c1ccccc1S2.[I-].[Na+]>>CC(O)C(C)OC1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 is 48\%.
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The yield of a reaction with the RXNSMILES C1=COCCC1.CCCCCC(O)CC#N.CCOCC.Cc1ccc(S(=O)(=O)O)cc1.O>>CCCCCC(CC#N)OC1CCCCO1 is 95\%.
The yield of a reaction with the RXNSMILES C1=COCCC1.CCCCCC(O)CC#N.CCOCC.Cc1ccc(S(=O)(=O)O)cc1.O>>CCCCCC(CC#N)OC1CCCCO1 is 95\%.
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The yield of a reaction with the RXNSMILES C.CS(N)(=O)=O.ClCCl.O=C(Cl)CCCCBr>>CS(=O)(=O)NC(=O)CCCCBr is 86\%.
The yield of a reaction with the RXNSMILES C.CS(N)(=O)=O.ClCCl.O=C(Cl)CCCCBr>>CS(=O)(=O)NC(=O)CCCCBr is 86\%.
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The reaction yield of a reaction with the reaction SMILES string CCOC(=O)c1ccc(O)cc1.CN(C)C=O.Clc1nccs1.O=C([O-])[O-].[K+]>>CCOC(=O)c1ccc(Oc2nccs2)cc1 is 29\%.
The reaction yield of a reaction with the reaction SMILES string CCOC(=O)c1ccc(O)cc1.CN(C)C=O.Clc1nccs1.O=C([O-])[O-].[K+]>>CCOC(=O)c1ccc(Oc2nccs2)cc1 is 29\%.
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The yield of a reaction with the reaction SMILES string CCOC(=O)C(=CCC(C)C)C(C)=O.ClC(Cl)(Cl)Cl.O=C1CCC(=O)N1Br>>CCOC(=O)c1cc(C(C)C)oc1C is 85\%.
The yield of a reaction with the reaction SMILES string CCOC(=O)C(=CCC(C)C)C(C)=O.ClC(Cl)(Cl)Cl.O=C1CCC(=O)N1Br>>CCOC(=O)c1cc(C(C)C)oc1C is 85\%.
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The reaction yield of a reaction with the reaction SMILES (RXNSMILES) CS(=O)CCl.Sc1ccccc1.[K+].[OH-]>>CS(=O)CSc1ccccc1 is 87\%.
The reaction yield of a reaction with the reaction SMILES (RXNSMILES) CS(=O)CCl.Sc1ccccc1.[K+].[OH-]>>CS(=O)CSc1ccccc1 is 87\%.
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The reaction yield of a reaction with the reaction SMILES CCCBr.CCO.COc1ccc(O)c(C(N)=O)c1.[Na]>>CCCOc1ccc(OC)cc1C(N)=O is 41\%.
The reaction yield of a reaction with the reaction SMILES CCCBr.CCO.COc1ccc(O)c(C(N)=O)c1.[Na]>>CCCOc1ccc(OC)cc1C(N)=O is 41\%.
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The yield of a reaction with the RXNSMILES CCN1CCNCC1.CCOC(=O)c1cn(CC)c2nc(Cl)ncc2c1=O.ClC(Cl)Cl>>CCOC(=O)c1cn(CC)c2nc(N3CCN(CC)CC3)ncc2c1=O is 92\%.
The yield of a reaction with the RXNSMILES CCN1CCNCC1.CCOC(=O)c1cn(CC)c2nc(Cl)ncc2c1=O.ClC(Cl)Cl>>CCOC(=O)c1cn(CC)c2nc(N3CCN(CC)CC3)ncc2c1=O is 92\%.
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The yield of a reaction with the reaction SMILES (RXNSMILES) CC(=O)Oc1cc(OC(C)=O)cc(C(=O)Cl)c1.Cc1ccccc1C.[Pd]>>CC(=O)Oc1cc(C=O)cc(OC(C)=O)c1 is 90\%.
The yield of a reaction with the reaction SMILES (RXNSMILES) CC(=O)Oc1cc(OC(C)=O)cc(C(=O)Cl)c1.Cc1ccccc1C.[Pd]>>CC(=O)Oc1cc(C=O)cc(OC(C)=O)c1 is 90\%.
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The reaction yield of a reaction with the reaction SMILES CC(C)(C)OC(=O)CCl.CCCCN>>CCCCNCC(=O)OC(C)(C)C is 91\%.
The reaction yield of a reaction with the reaction SMILES CC(C)(C)OC(=O)CCl.CCCCN>>CCCCNCC(=O)OC(C)(C)C is 91\%.
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The yield of a reaction with the reaction SMILES string Cl.Nc1ccccc1.O.O=C(CCl)c1ccc(-c2ccccc2)cc1>>c1ccc(-c2ccc(-c3cc4ccccc4[nH]3)cc2)cc1 is 25\%.
The yield of a reaction with the reaction SMILES string Cl.Nc1ccccc1.O.O=C(CCl)c1ccc(-c2ccccc2)cc1>>c1ccc(-c2ccc(-c3cc4ccccc4[nH]3)cc2)cc1 is 25\%.
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The yield of a reaction with the reaction SMILES (RXNSMILES) C1CCOC1.CCOC(=O)[C@H](Cc1ccc(C)c(OC)c1)NC(=O)c1ccccc1.O.[Al+3].[H-].[Li+]>>COc1cc(CC(CO)NCc2ccccc2)ccc1C is 98\%.
The yield of a reaction with the reaction SMILES (RXNSMILES) C1CCOC1.CCOC(=O)[C@H](Cc1ccc(C)c(OC)c1)NC(=O)c1ccccc1.O.[Al+3].[H-].[Li+]>>COc1cc(CC(CO)NCc2ccccc2)ccc1C is 98\%.
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The yield of a reaction with the RXNSMILES CN1CCN2c3ccncc3C(=O)c3ccccc3C2C1.CS(C)=O.NN.O.OCCOCCO.[K+].[OH-]>>CN1CCN2c3ccncc3Cc3ccccc3C2C1 is 90\%.
The yield of a reaction with the RXNSMILES CN1CCN2c3ccncc3C(=O)c3ccccc3C2C1.CS(C)=O.NN.O.OCCOCCO.[K+].[OH-]>>CN1CCN2c3ccncc3Cc3ccccc3C2C1 is 90\%.
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The yield of a reaction with the reaction SMILES string CN(C)C(=O)Cl.Cc1cc(N)no1.c1ccncc1>>Cc1cc(NC(=O)N(C)C)no1 is 56\%.
The yield of a reaction with the reaction SMILES string CN(C)C(=O)Cl.Cc1cc(N)no1.c1ccncc1>>Cc1cc(NC(=O)N(C)C)no1 is 56\%.
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The reaction yield of a reaction with the reaction SMILES BrC=CCc1ccccc1.ClC(Cl)Cl.O=C(OO)c1cccc(Cl)c1>>BrC=CCC1=CC2OC2C=C1 is 86\%.
The reaction yield of a reaction with the reaction SMILES BrC=CCc1ccccc1.ClC(Cl)Cl.O=C(OO)c1cccc(Cl)c1>>BrC=CCC1=CC2OC2C=C1 is 86\%.
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The yield of a reaction with the reaction SMILES CCO.CS(=O)(=O)C(CCCCCCC(=O)O)CCCC(COc1ccc(F)cc1)OCc1ccccc1.[Pd]>>CS(=O)(=O)C(CCCCCCC(=O)O)CCCC(O)COc1ccc(F)cc1 is 91\%.
The yield of a reaction with the reaction SMILES CCO.CS(=O)(=O)C(CCCCCCC(=O)O)CCCC(COc1ccc(F)cc1)OCc1ccccc1.[Pd]>>CS(=O)(=O)C(CCCCCCC(=O)O)CCCC(O)COc1ccc(F)cc1 is 91\%.
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The reaction yield of a reaction with the reaction SMILES CCN(CC)CC.CCOC(=O)CBr.COCCN.c1ccccc1>>CCOC(=O)CNCCOC is 75\%.
The reaction yield of a reaction with the reaction SMILES CCN(CC)CC.CCOC(=O)CBr.COCCN.c1ccccc1>>CCOC(=O)CNCCOC is 75\%.
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The reaction yield of a reaction with the reaction SMILES string CCCCCCC1CO1.CCO.N.O>>CCCCCCC(O)CN is 77\%.
The reaction yield of a reaction with the reaction SMILES string CCCCCCC1CO1.CCO.N.O>>CCCCCCC(O)CN is 77\%.
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The yield of a reaction with the reaction SMILES CCCS(=O)c1ccc(N)c([N+](=O)[O-])c1.CCO.N.O.O=S([O-])S(=O)[O-].[Na+]>>CCCS(=O)c1ccc(N)c(N)c1 is 60\%.
The yield of a reaction with the reaction SMILES CCCS(=O)c1ccc(N)c([N+](=O)[O-])c1.CCO.N.O.O=S([O-])S(=O)[O-].[Na+]>>CCCS(=O)c1ccc(N)c(N)c1 is 60\%.
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The yield of a reaction with the reaction SMILES (RXNSMILES) CN(C)P(=O)(N(C)C)N(C)C.COCCOC.COc1ccc(O)cc1.FC(F)(F)c1cccc(Cl)n1.O.[K+].[OH-]>>COc1ccc(Oc2cccc(C(F)(F)F)n2)cc1 is 94\%.
The yield of a reaction with the reaction SMILES (RXNSMILES) CN(C)P(=O)(N(C)C)N(C)C.COCCOC.COc1ccc(O)cc1.FC(F)(F)c1cccc(Cl)n1.O.[K+].[OH-]>>COc1ccc(Oc2cccc(C(F)(F)F)n2)cc1 is 94\%.
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The reaction yield of a reaction with the reaction SMILES string C1CCOC1.C=CCOc1ccccc1-c1ncc(C#N)c(=O)[nH]1.Cl.O.[Al+3].[Cl-].[N-]=[N+]=[N-].[Na+]>>C=CCOc1ccccc1-c1ncc(-c2nnn[nH]2)c(=O)[nH]1 is 37\%.
The reaction yield of a reaction with the reaction SMILES string C1CCOC1.C=CCOc1ccccc1-c1ncc(C#N)c(=O)[nH]1.Cl.O.[Al+3].[Cl-].[N-]=[N+]=[N-].[Na+]>>C=CCOc1ccccc1-c1ncc(-c2nnn[nH]2)c(=O)[nH]1 is 37\%.
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The reaction yield of a reaction with the reaction SMILES CC(C)C(=O)Cl.CN(C)P(=O)(N(C)C)N(C)C.COC(=O)c1cc(C)sc1N.O>>COC(=O)c1cc(C)sc1NC(=O)C(C)C is 85\%.
The reaction yield of a reaction with the reaction SMILES CC(C)C(=O)Cl.CN(C)P(=O)(N(C)C)N(C)C.COC(=O)c1cc(C)sc1N.O>>COC(=O)c1cc(C)sc1NC(=O)C(C)C is 85\%.
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The reaction yield of a reaction with the reaction SMILES CC(C)O.ClCCCN1CCC(COc2ccccc2)CC1.Nc1ncnc2nc[nH]c12.[Na]>>Nc1ncnc2c1ncn2CCCN1CCC(COc2ccccc2)CC1 is 64\%.
The reaction yield of a reaction with the reaction SMILES CC(C)O.ClCCCN1CCC(COc2ccccc2)CC1.Nc1ncnc2nc[nH]c12.[Na]>>Nc1ncnc2c1ncn2CCCN1CCC(COc2ccccc2)CC1 is 64\%.
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The reaction yield of a reaction with the RXNSMILES O=Cc1ccc(O)cc1.[Na+].[OH-]>>Oc1ccc(C(O)C(O)c2ccc(O)cc2)cc1 is 74\%.
The reaction yield of a reaction with the RXNSMILES O=Cc1ccc(O)cc1.[Na+].[OH-]>>Oc1ccc(C(O)C(O)c2ccc(O)cc2)cc1 is 74\%.
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The yield of a reaction with the reaction SMILES string C1COCCO1.O=C(Cl)c1ccccc1.O=c1[nH]cc(F)c(=O)[nH]1.c1ccncc1>>O=C(c1ccccc1)n1c(=O)[nH]cc(F)c1=O is 32\%.
The yield of a reaction with the reaction SMILES string C1COCCO1.O=C(Cl)c1ccccc1.O=c1[nH]cc(F)c(=O)[nH]1.c1ccncc1>>O=C(c1ccccc1)n1c(=O)[nH]cc(F)c1=O is 32\%.
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The reaction yield of a reaction with the reaction SMILES O=C(Cl)c1ccccc1.O=c1[nH]cc(F)c(=O)[nH]1.c1ccncc1>>O=C(c1ccccc1)n1cc(F)c(=O)n(C(=O)c2ccccc2)c1=O is 51\%.
The reaction yield of a reaction with the reaction SMILES O=C(Cl)c1ccccc1.O=c1[nH]cc(F)c(=O)[nH]1.c1ccncc1>>O=C(c1ccccc1)n1cc(F)c(=O)n(C(=O)c2ccccc2)c1=O is 51\%.
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The reaction yield of a reaction with the reaction SMILES string C1COCCO1.CCCCCCCCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCCCCCCCC.O=C(c1ccccc1)n1c(=O)[nH]cc(F)c1=O.c1ccncc1>>CCCCCCCCCCCCCCCCCC(=O)n1cc(F)c(=O)n(C(=O)c2ccccc2)c1=O is 40\%.
The reaction yield of a reaction with the reaction SMILES string C1COCCO1.CCCCCCCCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCCCCCCCC.O=C(c1ccccc1)n1c(=O)[nH]cc(F)c1=O.c1ccncc1>>CCCCCCCCCCCCCCCCCC(=O)n1cc(F)c(=O)n(C(=O)c2ccccc2)c1=O is 40\%.
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The reaction yield of a reaction with the reaction SMILES CC(=O)Cl.CC(=O)OC(C)C1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(NC(=O)Cc3cccs3)[C@H]2S(=O)C1.CN(C)C=O>>CC(=O)OC(C)C1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(NC(=O)Cc3cccs3)[C@H]2SC1 is 80\%.
The reaction yield of a reaction with the reaction SMILES CC(=O)Cl.CC(=O)OC(C)C1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(NC(=O)Cc3cccs3)[C@H]2S(=O)C1.CN(C)C=O>>CC(=O)OC(C)C1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(NC(=O)Cc3cccs3)[C@H]2SC1 is 80\%.
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The reaction yield of a reaction with the reaction SMILES C=C(C)C(=O)NCCCN(C)C.CO.C[N+](C)(C)Cc1ccccc1.FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCS.[OH-]>>CC(CSCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NCCCN(C)C is 78\%.
The reaction yield of a reaction with the reaction SMILES C=C(C)C(=O)NCCCN(C)C.CO.C[N+](C)(C)Cc1ccccc1.FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCS.[OH-]>>CC(CSCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NCCCN(C)C is 78\%.
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The yield of a reaction with the reaction SMILES string O.O=C(O)Cc1c(Cl)cccc1Sc1cccc(F)c1>>O=C1Cc2c(Cl)cccc2Sc2cc(F)ccc21 is 83\%.
The yield of a reaction with the reaction SMILES string O.O=C(O)Cc1c(Cl)cccc1Sc1cccc(F)c1>>O=C1Cc2c(Cl)cccc2Sc2cc(F)ccc21 is 83\%.
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The reaction yield of a reaction with the reaction SMILES (RXNSMILES) C1CCOC1.CCO.Fc1ccc2c(c1)C(Cl)Cc1c(Cl)cccc1S2.O.[Al+3].[H-].[Li+]>>Fc1ccc2c(c1)CCc1c(Cl)cccc1S2 is 66\%.
The reaction yield of a reaction with the reaction SMILES (RXNSMILES) C1CCOC1.CCO.Fc1ccc2c(c1)C(Cl)Cc1c(Cl)cccc1S2.O.[Al+3].[H-].[Li+]>>Fc1ccc2c(c1)CCc1c(Cl)cccc1S2 is 66\%.
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The yield of a reaction with the reaction SMILES O=C(O)c1ccccc1.O=C([O-])O.O=c1[nH]c2ccccc2c2cc(CO)nn12.[Na+]>>O=C(OCc1cc2c3ccccc3[nH]c(=O)n2n1)c1ccccc1 is 85\%.
The yield of a reaction with the reaction SMILES O=C(O)c1ccccc1.O=C([O-])O.O=c1[nH]c2ccccc2c2cc(CO)nn12.[Na+]>>O=C(OCc1cc2c3ccccc3[nH]c(=O)n2n1)c1ccccc1 is 85\%.
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The yield of a reaction with the reaction SMILES CN(C)C=O.COC(=O)C(N)Cc1ccccc1.Cl.O=C(N[C@H](C(=O)O)C(Cc1ccccc1)C(=O)O)OCc1ccccc1>>COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(Cc1ccccc1)C(=O)O is 82\%.
The yield of a reaction with the reaction SMILES CN(C)C=O.COC(=O)C(N)Cc1ccccc1.Cl.O=C(N[C@H](C(=O)O)C(Cc1ccccc1)C(=O)O)OCc1ccccc1>>COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(Cc1ccccc1)C(=O)O is 82\%.
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The yield of a reaction with the RXNSMILES CCO.CCOC1=CCc2c(OC)ccc(OC)c2C1.Cl>>COC1CCC(OC)C2=C1C=CC(=O)C2 is 86\%.
The yield of a reaction with the RXNSMILES CCO.CCOC1=CCc2c(OC)ccc(OC)c2C1.Cl>>COC1CCC(OC)C2=C1C=CC(=O)C2 is 86\%.
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The yield of a reaction with the reaction SMILES C=C1CC(=O)O1.CC(C)(C)c1nnc(N)s1.CCCCCCC.Cc1ccccc1C>>CC(=O)CC(=O)Nc1nnc(C(C)(C)C)s1 is 59\%.
The yield of a reaction with the reaction SMILES C=C1CC(=O)O1.CC(C)(C)c1nnc(N)s1.CCCCCCC.Cc1ccccc1C>>CC(=O)CC(=O)Nc1nnc(C(C)(C)C)s1 is 59\%.
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The reaction yield of a reaction with the RXNSMILES CCN(CC)S(F)(F)F.ClCCl.O=C1Nc2ccc([N+](=O)[O-])cc2C(c2ccccc2)=NC1O>>O=C1Nc2ccc([N+](=O)[O-])cc2C(c2ccccc2)=NC1F is 83\%.
The reaction yield of a reaction with the RXNSMILES CCN(CC)S(F)(F)F.ClCCl.O=C1Nc2ccc([N+](=O)[O-])cc2C(c2ccccc2)=NC1O>>O=C1Nc2ccc([N+](=O)[O-])cc2C(c2ccccc2)=NC1F is 83\%.
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The reaction yield of a reaction with the reaction SMILES (RXNSMILES) C1CCOC1.CC(=O)O.CCO.CCOC(=O)CC(=O)CCl.CC[O-].[Na+].[Na]>>CCOCC(=O)CC(=O)OCC is 71\%.
The reaction yield of a reaction with the reaction SMILES (RXNSMILES) C1CCOC1.CC(=O)O.CCO.CCOC(=O)CC(=O)CCl.CC[O-].[Na+].[Na]>>CCOCC(=O)CC(=O)OCC is 71\%.
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The yield of a reaction with the reaction SMILES CC(=O)O.CC(=O)[O-].Cl.Nc1ccc(Cl)c(Cl)c1.O.O=C(O)CCl.O=C([O-])[O-].[Na+]>>O=C(O)CNc1ccc(Cl)c(Cl)c1 is 62\%.
The yield of a reaction with the reaction SMILES CC(=O)O.CC(=O)[O-].Cl.Nc1ccc(Cl)c(Cl)c1.O.O=C(O)CCl.O=C([O-])[O-].[Na+]>>O=C(O)CNc1ccc(Cl)c(Cl)c1 is 62\%.
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The yield of a reaction with the RXNSMILES C1CCCCC1.Cl.ClCCl.Fc1ccc(CCl)cc1.NC(N)=S.O.O=C([O-])CCl.[Na+].[OH-]>>OC(=S)CCc1ccc(F)cc1 is 87\%.
The yield of a reaction with the RXNSMILES C1CCCCC1.Cl.ClCCl.Fc1ccc(CCl)cc1.NC(N)=S.O.O=C([O-])CCl.[Na+].[OH-]>>OC(=S)CCc1ccc(F)cc1 is 87\%.
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The yield of a reaction with the reaction SMILES string C1COCCO1.CCN(CC)CC.CCc1ccc(C(=O)O)nc1.OCc1ccccc1.[N-]=[N+]=NP(=O)(c1ccccc1)c1ccccc1>>CCc1ccc(NC(=O)OCc2ccccc2)nc1 is 50\%.
The yield of a reaction with the reaction SMILES string C1COCCO1.CCN(CC)CC.CCc1ccc(C(=O)O)nc1.OCc1ccccc1.[N-]=[N+]=NP(=O)(c1ccccc1)c1ccccc1>>CCc1ccc(NC(=O)OCc2ccccc2)nc1 is 50\%.
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The yield of a reaction with the reaction SMILES string C1COCCO1.CCCCc1ccc(C(=O)O)nc1.CCN(CC)CC.OCc1ccccc1.[N-]=[N+]=NP(=O)(c1ccccc1)c1ccccc1>>CCCCc1ccc(NC(=O)OCc2ccccc2)nc1 is 57\%.
The yield of a reaction with the reaction SMILES string C1COCCO1.CCCCc1ccc(C(=O)O)nc1.CCN(CC)CC.OCc1ccccc1.[N-]=[N+]=NP(=O)(c1ccccc1)c1ccccc1>>CCCCc1ccc(NC(=O)OCc2ccccc2)nc1 is 57\%.
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The reaction yield of a reaction with the reaction SMILES CO.COC1=CC(OC)OC1(OC)C(C)=O.[BH4-].[Cl-].[NH4+].[Na+]>>COC1=CC(OC)OC1(OC)C(C)O is 96\%.
The reaction yield of a reaction with the reaction SMILES CO.COC1=CC(OC)OC1(OC)C(C)=O.[BH4-].[Cl-].[NH4+].[Na+]>>COC1=CC(OC)OC1(OC)C(C)O is 96\%.
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The yield of a reaction with the reaction SMILES (RXNSMILES) CN=C=O.CO.Cc1cn([C@H]2C[C@H](O)[C@@H](CN)O2)c(=O)[nH]c1=O.O>>CNC(=O)NC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1O is 72\%.
The yield of a reaction with the reaction SMILES (RXNSMILES) CN=C=O.CO.Cc1cn([C@H]2C[C@H](O)[C@@H](CN)O2)c(=O)[nH]c1=O.O>>CNC(=O)NC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1O is 72\%.
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The reaction yield of a reaction with the reaction SMILES string CCO.COc1cc(C)c(C=O)cc1C.Cl.O=C1CCOCC1>>COc1cc(C)c(C=C2COCC(=Cc3cc(C)c(OC)cc3C)C2=O)cc1C is 39\%.
The reaction yield of a reaction with the reaction SMILES string CCO.COc1cc(C)c(C=O)cc1C.Cl.O=C1CCOCC1>>COc1cc(C)c(C=C2COCC(=Cc3cc(C)c(OC)cc3C)C2=O)cc1C is 39\%.
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The reaction yield of a reaction with the reaction SMILES string N#CCC(=O)O.O=CC1CC2C=CC1C2.[NH4+].[OH-].c1ccccc1>>N#CCC=C1CC2C=CC1C2 is 70\%.
The reaction yield of a reaction with the reaction SMILES string N#CCC(=O)O.O=CC1CC2C=CC1C2.[NH4+].[OH-].c1ccccc1>>N#CCC=C1CC2C=CC1C2 is 70\%.
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The reaction yield of a reaction with the RXNSMILES C1=COCCC1.Cc1ccc(S(=O)(=O)O)cc1.ClCCl.O[C@@H]1C=C[C@@H](O)C1>>O[C@@H]1C=C[C@@H](OC2CCCCO2)C1 is 56\%.
The reaction yield of a reaction with the RXNSMILES C1=COCCC1.Cc1ccc(S(=O)(=O)O)cc1.ClCCl.O[C@@H]1C=C[C@@H](O)C1>>O[C@@H]1C=C[C@@H](OC2CCCCO2)C1 is 56\%.
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The reaction yield of a reaction with the reaction SMILES C1CCOC1.CCCCCC(=O)/C=C/c1occc(=O)c1OCCCCCC(=O)OCC.CC[BH-](CC)CC.[Li+]>>CCCCCC(O)/C=C/c1occc(=O)c1OCCCCCC(=O)OCC is 65\%.
The reaction yield of a reaction with the reaction SMILES C1CCOC1.CCCCCC(=O)/C=C/c1occc(=O)c1OCCCCCC(=O)OCC.CC[BH-](CC)CC.[Li+]>>CCCCCC(O)/C=C/c1occc(=O)c1OCCCCCC(=O)OCC is 65\%.
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The reaction yield of a reaction with the reaction SMILES (RXNSMILES) C1CCOC1.CCOC(=O)CCCCCOc1c(/C=C/C(=O)CCc2ccccc2)occc1=O.CC[BH-](CC)CC.[Li+]>>CCOC(=O)CCCCCOc1c(/C=C/C(O)CCc2ccccc2)occc1=O is 28\%.
The reaction yield of a reaction with the reaction SMILES (RXNSMILES) C1CCOC1.CCOC(=O)CCCCCOc1c(/C=C/C(=O)CCc2ccccc2)occc1=O.CC[BH-](CC)CC.[Li+]>>CCOC(=O)CCCCCOc1c(/C=C/C(O)CCc2ccccc2)occc1=O is 28\%.
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The reaction yield of a reaction with the reaction SMILES CI.CO.COC(=O)C1=C(O)c2c(c3cc(C)ccc3n2C)S(=O)(=O)N1.[Na+].[OH-]>>COC(=O)C1=C(O)c2c(c3cc(C)ccc3n2C)S(=O)(=O)N1C is 84\%.
The reaction yield of a reaction with the reaction SMILES CI.CO.COC(=O)C1=C(O)c2c(c3cc(C)ccc3n2C)S(=O)(=O)N1.[Na+].[OH-]>>COC(=O)C1=C(O)c2c(c3cc(C)ccc3n2C)S(=O)(=O)N1C is 84\%.
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The reaction yield of a reaction with the reaction SMILES string CCO.N#Cc1cn(C2OC(CO)C(O)C2O)c2nc(Cl)nc(N)c12.NO>>NC(=NO)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2nc(Cl)nc(N)c12 is 74\%.
The reaction yield of a reaction with the reaction SMILES string CCO.N#Cc1cn(C2OC(CO)C(O)C2O)c2nc(Cl)nc(N)c12.NO>>NC(=NO)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2nc(Cl)nc(N)c12 is 74\%.
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The reaction yield of a reaction with the reaction SMILES CI.CN(C)C=O.O.O=CNc1ccc(Cl)cc1C(=O)c1ccccc1.[H-].[H][H].[Na+]>>CN(C=O)c1ccc(Cl)cc1C(=O)c1ccccc1 is 70\%.
The reaction yield of a reaction with the reaction SMILES CI.CN(C)C=O.O.O=CNc1ccc(Cl)cc1C(=O)c1ccccc1.[H-].[H][H].[Na+]>>CN(C=O)c1ccc(Cl)cc1C(=O)c1ccccc1 is 70\%.
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The yield of a reaction with the RXNSMILES COC(=O)C#CC(=O)OC.Cc1cccc(-c2nsc(=O)o2)c1.Clc1ccccc1>>COC(=O)c1snc(-c2cccc(C)c2)c1C(=O)OC is 52\%.
The yield of a reaction with the RXNSMILES COC(=O)C#CC(=O)OC.Cc1cccc(-c2nsc(=O)o2)c1.Clc1ccccc1>>COC(=O)c1snc(-c2cccc(C)c2)c1C(=O)OC is 52\%.
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The reaction yield of a reaction with the reaction SMILES CC(=O)O.CCO.CCOC(=O)CC(C(=O)c1ccccc1)C(=O)c1ccccc1.CNN.O.[Na+].[OH-]>>Cn1nc(-c2ccccc2)c(CC(=O)O)c1-c1ccccc1 is 67\%.
The reaction yield of a reaction with the reaction SMILES CC(=O)O.CCO.CCOC(=O)CC(C(=O)c1ccccc1)C(=O)c1ccccc1.CNN.O.[Na+].[OH-]>>Cn1nc(-c2ccccc2)c(CC(=O)O)c1-c1ccccc1 is 67\%.
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The yield of a reaction with the RXNSMILES CCO.CCOC(=O)CC(C)=O.O=S(=O)(O)O.Oc1cccc(O)c1>>Cc1cc(=O)oc2cc(O)ccc12 is 74\%.
The yield of a reaction with the RXNSMILES CCO.CCOC(=O)CC(C)=O.O=S(=O)(O)O.Oc1cccc(O)c1>>Cc1cc(=O)oc2cc(O)ccc12 is 74\%.
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The yield of a reaction with the reaction SMILES string BrC1CCCC1.CC(C)=O.O=C([O-])[O-].O=[N+]([O-])c1ccccc1O.[K+]>>O=[N+]([O-])c1ccccc1OC1CCCC1 is 47\%.
The yield of a reaction with the reaction SMILES string BrC1CCCC1.CC(C)=O.O=C([O-])[O-].O=[N+]([O-])c1ccccc1O.[K+]>>O=[N+]([O-])c1ccccc1OC1CCCC1 is 47\%.
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The yield of a reaction with the RXNSMILES CCO.CCSCc1ccc(N)c([N+](=O)[O-])c1.O.O=S([O-])S(=O)[O-].[NH4+].[Na+].[OH-]>>CCSCc1ccc(N)c(N)c1 is 92\%.
The yield of a reaction with the RXNSMILES CCO.CCSCc1ccc(N)c([N+](=O)[O-])c1.O.O=S([O-])S(=O)[O-].[NH4+].[Na+].[OH-]>>CCSCc1ccc(N)c(N)c1 is 92\%.
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The reaction yield of a reaction with the reaction SMILES string C.C1CCOC1.COC(=O)C(=C(C)C)N1C(=O)C2(C(=O)Cc3ccccc3)NC(C(=O)OCc3ccccc3)OC12.[Pd]>>COC(=O)C(=C(C)C)N1C(=O)C2(C(=O)Cc3ccccc3)NC(C(=O)O)OC12 is 99\%.
The reaction yield of a reaction with the reaction SMILES string C.C1CCOC1.COC(=O)C(=C(C)C)N1C(=O)C2(C(=O)Cc3ccccc3)NC(C(=O)OCc3ccccc3)OC12.[Pd]>>COC(=O)C(=C(C)C)N1C(=O)C2(C(=O)Cc3ccccc3)NC(C(=O)O)OC12 is 99\%.
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The reaction yield of a reaction with the reaction SMILES (RXNSMILES) CC(=O)Nc1cccc(C#CC=Cc2cccc(NC(C)=O)c2)c1.CCO.O>>Nc1cccc(C#CC=Cc2cccc(N)c2)c1 is 50\%.
The reaction yield of a reaction with the reaction SMILES (RXNSMILES) CC(=O)Nc1cccc(C#CC=Cc2cccc(NC(C)=O)c2)c1.CCO.O>>Nc1cccc(C#CC=Cc2cccc(N)c2)c1 is 50\%.
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The yield of a reaction with the reaction SMILES string CCOC(=O)C(O)c1ccccc1Nc1c(Cl)cccc1Cl.COC(=O)C(O)c1ccccc1Nc1c(Cl)cccc1Cl>>O=C(O)C(O)c1ccccc1Nc1c(Cl)cccc1Cl is 78\%.
The yield of a reaction with the reaction SMILES string CCOC(=O)C(O)c1ccccc1Nc1c(Cl)cccc1Cl.COC(=O)C(O)c1ccccc1Nc1c(Cl)cccc1Cl>>O=C(O)C(O)c1ccccc1Nc1c(Cl)cccc1Cl is 78\%.
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The reaction yield of a reaction with the reaction SMILES C1CCOC1.CCN(CC)CC.Cc1ccc(S(=O)(=O)Cl)cc1.O=C(c1ccc(Nc2ccnc3cc(C(F)(F)F)ccc23)cc1)N1CCNCC1>>Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Nc4ccnc5cc(C(F)(F)F)ccc45)cc3)CC2)cc1 is 90\%.
The reaction yield of a reaction with the reaction SMILES C1CCOC1.CCN(CC)CC.Cc1ccc(S(=O)(=O)Cl)cc1.O=C(c1ccc(Nc2ccnc3cc(C(F)(F)F)ccc23)cc1)N1CCNCC1>>Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Nc4ccnc5cc(C(F)(F)F)ccc45)cc3)CC2)cc1 is 90\%.
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The yield of a reaction with the reaction SMILES (RXNSMILES) C1CCOC1.CC(C)O.CC(Oc1ccc(COc2ccc(Cl)cc2)cc1)C(=O)O.O=C(n1ccnc1)n1ccnc1>>CC(C)OC(=O)C(C)Oc1ccc(COc2ccc(Cl)cc2)cc1 is 65\%.
The yield of a reaction with the reaction SMILES (RXNSMILES) C1CCOC1.CC(C)O.CC(Oc1ccc(COc2ccc(Cl)cc2)cc1)C(=O)O.O=C(n1ccnc1)n1ccnc1>>CC(C)OC(=O)C(C)Oc1ccc(COc2ccc(Cl)cc2)cc1 is 65\%.
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The yield of a reaction with the reaction SMILES string C#CCCl.CN(C)C=O.OCc1cccnc1.[H-].[Na+]>>C#CCOCc1cccnc1 is 45\%.
The yield of a reaction with the reaction SMILES string C#CCCl.CN(C)C=O.OCc1cccnc1.[H-].[Na+]>>C#CCOCc1cccnc1 is 45\%.
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The yield of a reaction with the reaction SMILES string CCO.CCOC(=O)CC(=O)N(c1ccccc1)c1ccccc1.Cl.O.[K+].[OH-]>>O=C(O)CC(=O)N(c1ccccc1)c1ccccc1 is 98\%.
The yield of a reaction with the reaction SMILES string CCO.CCOC(=O)CC(=O)N(c1ccccc1)c1ccccc1.Cl.O.[K+].[OH-]>>O=C(O)CC(=O)N(c1ccccc1)c1ccccc1 is 98\%.
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null
The reaction yield of a reaction with the reaction SMILES string CC(C)=O.CCOCCBr.O=C([O-])[O-].O=[N+]([O-])c1ccccc1O.[K+]>>CCOCCOc1ccccc1[N+](=O)[O-] is 42\%.
The reaction yield of a reaction with the reaction SMILES string CC(C)=O.CCOCCBr.O=C([O-])[O-].O=[N+]([O-])c1ccccc1O.[K+]>>CCOCCOc1ccccc1[N+](=O)[O-] is 42\%.
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The reaction yield of a reaction with the reaction SMILES CC(C)(C)c1cc(N)no1.CN(C)C(=O)Cl.Cc1ccccc1.O.[Al+3].[Cl-]>>CN(C)C(=O)Nc1cc(C(C)(C)C)on1 is 99\%.
The reaction yield of a reaction with the reaction SMILES CC(C)(C)c1cc(N)no1.CN(C)C(=O)Cl.Cc1ccccc1.O.[Al+3].[Cl-]>>CN(C)C(=O)Nc1cc(C(C)(C)C)on1 is 99\%.
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The reaction yield of a reaction with the RXNSMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)ON1C(=O)CCC1=O.CCCC[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(N)=O)c1ccccc1.CCN(CC)CC.CN(C)C=O.Cl>>CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(N)=O)c1ccccc1 is 98\%.
The reaction yield of a reaction with the RXNSMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)ON1C(=O)CCC1=O.CCCC[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(N)=O)c1ccccc1.CCN(CC)CC.CN(C)C=O.Cl>>CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(N)=O)c1ccccc1 is 98\%.
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The yield of a reaction with the reaction SMILES CC#N.Cc1ccc(C2(Cl)c3ccccc3C(=O)c3ccccc32)cc1.c1c[nH]cn1>>Cc1ccc(C2(n3ccnc3)c3ccccc3C(=O)c3ccccc32)cc1 is 41\%.
The yield of a reaction with the reaction SMILES CC#N.Cc1ccc(C2(Cl)c3ccccc3C(=O)c3ccccc32)cc1.c1c[nH]cn1>>Cc1ccc(C2(n3ccnc3)c3ccccc3C(=O)c3ccccc32)cc1 is 41\%.
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The reaction yield of a reaction with the reaction SMILES string CS.CS(C)=O.O.O=[N+]([O-])c1ccc(Cl)c(C(F)(F)F)c1.[Na+].[OH-]>>CSc1ccc([N+](=O)[O-])cc1C(F)(F)F is 95\%.
The reaction yield of a reaction with the reaction SMILES string CS.CS(C)=O.O.O=[N+]([O-])c1ccc(Cl)c(C(F)(F)F)c1.[Na+].[OH-]>>CSc1ccc([N+](=O)[O-])cc1C(F)(F)F is 95\%.
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The reaction yield of a reaction with the RXNSMILES CO.NS(=O)(=O)c1cc2c(c(C(=O)O)c1)OCCO2.O=S(=O)(O)O>>COC(=O)c1cc(S(N)(=O)=O)cc2c1OCCO2 is 81\%.
The reaction yield of a reaction with the RXNSMILES CO.NS(=O)(=O)c1cc2c(c(C(=O)O)c1)OCCO2.O=S(=O)(O)O>>COC(=O)c1cc(S(N)(=O)=O)cc2c1OCCO2 is 81\%.
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The yield of a reaction with the reaction SMILES C1COCCO1.CCN(CC)CC.N.NS(=O)(=O)c1cc2c(c(C(=O)O)c1)OCCO2.O.c1cnc(N2CCNCC2)nc1>>NS(=O)(=O)c1cc2c(c(C(=O)N3CCN(c4ncccn4)CC3)c1)OCCO2 is 40\%.
The yield of a reaction with the reaction SMILES C1COCCO1.CCN(CC)CC.N.NS(=O)(=O)c1cc2c(c(C(=O)O)c1)OCCO2.O.c1cnc(N2CCNCC2)nc1>>NS(=O)(=O)c1cc2c(c(C(=O)N3CCN(c4ncccn4)CC3)c1)OCCO2 is 40\%.
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The yield of a reaction with the reaction SMILES string CN(C)C=O.N#CCC(=O)O.O=CC1CC2C=CC1C2.[NH4+].[OH-].c1ccccc1>>N#CCC=C1CC2C=CC1C2 is 70\%.
The yield of a reaction with the reaction SMILES string CN(C)C=O.N#CCC(=O)O.O=CC1CC2C=CC1C2.[NH4+].[OH-].c1ccccc1>>N#CCC=C1CC2C=CC1C2 is 70\%.
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The yield of a reaction with the reaction SMILES C1CCOC1.CC(C)COC(=O)Cl.CCN1CCOCC1.C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O.NC1CCCCCCC1>>C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC1CCCCCCC1 is 59\%.
The yield of a reaction with the reaction SMILES C1CCOC1.CC(C)COC(=O)Cl.CCN1CCOCC1.C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O.NC1CCCCCCC1>>C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC1CCCCCCC1 is 59\%.
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null
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Dataset Details

Dataset Description

The USPTO dataset is a collection of reaction mined from US patents.

  • Curated by:
  • License: CC0

Dataset Sources

Citation

BibTeX:

@article{Lowe2017,
author = "Daniel Lowe",
title = "{Chemical reactions from US patents (1976-Sep2016)}",
year = "2017",
month = "6",
url = "https://figshare.com/articles/dataset/Chemical_reactions_from_US_patents_1976-Sep2016_/5104873",
doi = "10.6084/m9.figshare.5104873.v1"
}
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