product
stringlengths 1
871
| reactant
stringlengths 4
2.28k
|
|---|---|
CC(=O)OCc1c(-c2ccnc3cc(Cl)ccc23)c2cc(Cl)ccc2n1CC(=O)O | CC(=O)O.Cc1c(-c2ccnc3cc(Cl)ccc23)c2cc(Cl)ccc2n1CC(=O)O.O=C1CCC(=O)N1Br |
NCCCNc1cc(N2CCS(=O)(=O)c3ccccc3C2)nc2ccc(C(N)=O)cc12 | NC(=O)c1ccc2nc(N3CCS(=O)(=O)c4ccccc4C3)cc(Cl)c2c1.NCCCN |
CSc1c(F)cccc1C(F)(F)F | CC(C)NC(C)C.CSSC.Fc1cccc(C(F)(F)F)c1.[Li]CCCC |
Cn1ncnc1C1c2n[nH]c(=O)c3cc(F)cc(c23)NC1c1ccc(F)cc1 | CCOC(=O)c1cc(F)cc2c1C(=O)C(c1ncnn1C)C(c1ccc(F)cc1)N2.NN.O |
CNc1nc2cc(N(C)c3ccnc(Nc4cccc(S(N)(=O)=O)c4)n3)ccc2n1C | CNc1nc2cc(N(C)c3ccnc(Cl)n3)ccc2n1C.Nc1cccc(S(N)(=O)=O)c1 |
COCOc1cccc(N)c1CC[C@@H](C)O | COCOc1cccc([N+](=O)[O-])c1C#C[C@@H](C)O.[H][H] |
CCN(CC)CCN1CCc2[nH]c(C=C3C(=O)Nc4cccc(-c5cccc(F)c5F)c43)c(C)c2C1=O.O=C(O)CC(O)C(=O)O | CCN(CC)CCN1CCc2[nH]c(C=C3C(=O)Nc4cccc(-c5cccc(F)c5F)c43)c(C)c2C1=O.O=C(O)CC(O)C(=O)O |
C=CC(=O)Nc1cccc(Oc2ncnc(N)c2-c2cnn(Cc3ccc(C#N)cc3)c2)c1 | C=CC(=O)Cl.CC1(C)OB(c2cnn(Cc3ccc(C#N)cc3)c2)OC1(C)C.Nc1cccc(O)c1.Nc1ncnc(Cl)c1Cl |
COc1ccc(C(=O)O)c(C(=O)O)c1 | COC(=O)c1ccc(OC)cc1C(=O)OC.Cl |
COc1cc(C=O)c2c(c1OC)OC(C1CC1)C=C2 | C#CC(Oc1cc(C=O)cc(OC)c1OC)C1CC1 |
Cl.N=C(N)NCCC[C@@H](C=O)NC(=O)CNC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1 | CCCCOC(OCCCC)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1.Cl.Cl.[Na+].[OH-] |
CN1C(=O)OC[C@H]1Cc1ccccc1.NCCC[C@H](CC(=O)[O-])C(=O)[O-] | CN1C(=O)OC[C@H]1Cc1ccccc1.CO.N#CCC[C@H](CC(=O)O)C(=O)O |
Cc1c(-c2ccc(C(=O)NCCN3CCOCC3)cc2)c(=O)oc2cc(O)ccc12 | Cc1c(Br)c(=O)oc2cc(O)ccc12.O=C(NCCN1CCOCC1)c1ccc(B(O)O)cc1 |
C[C@H]1CN(c2ccc(OCc3ccccc3)c(C(=O)Nc3cccnc3)c2)C[C@@H](C)N1C | C[C@H]1CNC[C@@H](C)N1C.O=C(Nc1cccnc1)c1cc(Br)ccc1OCc1ccccc1.O=C([O-])[O-].[Cs+].[Cs+].c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1 |
O=C(CC1CCCCO1)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1 | Cl.Cl.N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1.N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1.O=C(O)CC1CCCCO1 |
CNc1ccc(-c2nc(N3CCOCC3)c3nc(C(C)(C)OC)sc3n2)cn1 | CN(C(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1.COC(C)(C)c1nc2c(N3CCOCC3)nc(Cl)nc2s1.O=C(O)C(F)(F)F |
O=C(NCCCN1CCCC1=O)[C@@H]1CCCN1 | O=C(NCCCN1CCCC1=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 |
C=C(C)C(=O)OC[c-]1cccc1.[Fe+2].c1cc[cH-]c1 | C=C(C)C(=O)[O-].OC[c-]1cccc1.[Cl-].[Fe+2].c1cc[cH-]c1 |
COc1cc(-c2nn(C3CCN(C)CC3)c3ncnc(N)c23)ccc1NC(=O)[C@@H]1C[C@H]1c1ccccc1 | COc1cc(-c2nn(C3CCN(C)CC3)c3ncnc(N)c23)ccc1N.O=C(Cl)[C@@H]1C[C@H]1c1ccccc1.O=C(Cl)[C@@H]1C[C@H]1c1ccccc1 |
Cl.NC1=N[C@@]2(c3ccccc3)CN(c3ncc(F)cn3)C[C@H]2CS1 | CON.Cl.O=C(NC1=N[C@@]2(c3ccccc3)CN(c3ncc(F)cn3)C[C@H]2CS1)c1ccccc1.c1ccncc1 |
COc1cc2c(cc1N1CCOCC1)CC(Cc1cncc(C(O)(C(F)(F)F)C(F)(F)F)c1)C2=O | COc1cc2c(cc1N1CCOCC1)C/C(=C\c1cncc(C(O)(C(F)(F)F)C(F)(F)F)c1)C2=O |
CC1(C2=CCCN(Cc3ccccc3)C2)OCCO1 | BrCc1ccccc1.CC1(c2cccnc2)OCCO1 |
CC(C)(C)[Si](C)(C)OCC1(CO[Si](C)(C)C(C)(C)C)Oc2ccc([N+](=O)[O-])cc2NC1=O | CC(C)(C)[Si](C)(C)Cl.CC(C)(C)[Si](C)(C)OCC1(CO)Oc2ccc([N+](=O)[O-])cc2NC1=O |
O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Mg+2].[Mg+2].[Mg+2] | CCCCCCCCCC(=O)O.O=P(O)(O)O.OCC(O)CO.OCC(O)CO.[Mg+2].[OH-].[OH-] |
COC(=O)c1cc(Cl)ccn1 | CO.O=C(O)c1ccccn1.O=S(Cl)Cl |