smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
BrC1=C(C=C2C=NN(C2=C1)C(C)=O)C>N(C)(C)C=O.C(C)(=O)OCC.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.B1(OC(C(O1)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C.C(C)(=O)[O-].[K+]>CC=1C=C2C=NN(C2=CC1B1OC(C(O1)(C)C)(C)C)C(C)=O | 3 |
[CH3:1][N:2]1[CH2:7][CH2:6][N:5]([CH2:8][C:9]([OH:11])=[O:10])[CH2:4][CH2:3]1.ClC(Cl)(Cl)C[O:15][C:16](=[O:37])[CH:17]([S:27][CH2:28][CH2:29][C:30]1[CH:35]=[CH:34][C:33]([F:36])=[CH:32][CH:31]=1)[CH2:18][C:19]1[CH:24]=[CH:23][C:22]([CH2:25]O)=[CH:21][CH:20]=1>>[F:36][C:33]1[CH:34]=[CH:35][C:30]([CH2:29][CH2:28][S:27][C... | 1 |
O=CCOC1(CCN(CC1)C(=O)OC(C)(C)C)C=1C=NC=CC1>>OCCOC1(CCN(CC1)C(=O)OC(C)(C)C)C=1C=NC=CC1 | 5 |
[CH3:1][O:2][C:3](=[O:20])[C:4]1[C:9](Cl)=[CH:8][N:7]=[C:6]([C:11](=[O:19])[C:12]2[CH:17]=[CH:16][C:15](Br)=[CH:14][CH:13]=2)[CH:5]=1.[C:21]1([OH:27])[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1.[Cl:28][C:29]1[CH:35]=[CH:34][C:32]([NH2:33])=[CH:31][CH:30]=1>>[CH3:1][O:2][C:3](=[O:20])[C:4]1[C:9]([O:27][C:21]2[CH:26]=[CH:25]... | 2 |
Cl.Cl.[NH:3]1[CH2:8][CH2:7][CH:6]([N:9]2[C:17]3[C:12](=[N:13][CH:14]=[CH:15][CH:16]=3)[NH:11][C:10]2=[O:18])[CH2:5][CH2:4]1.Cl[C:20]1[N:25]=[CH:24][N:23]=[C:22]([C:26]([C:28]2[CH:37]=[C:36]([CH3:38])[C:31]3[NH:32][C:33](=[O:35])[O:34][C:30]=3[CH:29]=2)=[O:27])[CH:21]=1.CCN(C(C)C)C(C)C>CN(C=O)C>[CH3:38][C:36]1[C:31]2[NH... | 1 |
C(C)N(CC)[Si](C)(C)C.C[S@@](=O)(=N)C1=CC=CC=C1>CC#N>C[Si](N=[S@](C1=CC=CC=C1)(=O)C)(C)C | 3 |
C1C[C@H](CC=2C3=CC=CC=C3NC12)N.C(C)(C)(C)C=1C=NN2C1N=C(N=C2Cl)C=2C=NC=C(C2)F>C(C)(C)O.C(C)(C)N(C(C)C)CC>C(C)(C)(C)C=1C=NN2C1N=C(N=C2N[C@@H]2CCC=1NC3=CC=CC=C3C1C2)C=2C=NC=C(C2)F | 3 |
[NH2:1][CH2:2][C:3]1[C:4]([F:20])=[C:5]([O:10][C:11]2[CH:12]=[C:13]([CH:16]=[C:17]([Cl:19])[CH:18]=2)[C:14]#[N:15])[C:6]([Cl:9])=[CH:7][CH:8]=1.CCN(C(C)C)C(C)C.[CH3:30][S:31]([C:34]1[CH:42]=[CH:41][C:37]([C:38](O)=[O:39])=[CH:36][CH:35]=1)(=[O:33])=[O:32].CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F>CN(C=O)C.... | 1 |
C1OC=2C=C(C=CC2O1)CC(=O)O>[H-].[Al+3].[Li+].[H-].[H-].[H-]>O1COC2=C1C=CC(=C2)CCO | 3 |
C(OC(=O)[NH:7][CH:8]1[CH2:13][CH2:12][N:11]([C:14]2[CH:19]=[CH:18][CH:17]=[C:16]([C:20]3[N:24]([CH3:25])[C:23]4[CH:26]=[CH:27][CH:28]=[CH:29][C:22]=4[N:21]=3)[CH:15]=2)[CH2:10][CH2:9]1)(C)(C)C.[Cl:31]CCl>CO.Cl.CCOCC>[ClH:31].[CH3:25][N:24]1[C:23]2[CH:26]=[CH:27][CH:28]=[CH:29][C:22]=2[N:21]=[C:20]1[C:16]1[CH:15]=[C:14]... | 1 |
Cl.NC[C@@H]1CCC(N1)=O.ClC1=C(C=CC=C1C1=C(C(=NC=C1)C1=CC(=C(C=C1)C=O)OC)Cl)C=1N=CC=2N(C1)C=C(N2)C=O>CO[H].C(C)(=O)[O-].[Na+].C(#N)[BH3-].[Na+]>ClC1=C(C=CC=C1C1=C(C(=NC=C1)C1=CC(=C(C=C1)CNC[C@H]1NC(CC1)=O)OC)Cl)C=1N=CC=2N(C1)C=C(N2)CNC[C@@H]2CCC(N2)=O | 3 |
ClC(=O)OCC1=CC=CC=C1.N1C[C@H](CCC1)C(=O)O>O.C1CCCO1.C(O)([O-])=O.[Na+]>C(C1=CC=CC=C1)OC(=O)N1C[C@H](CCC1)C(=O)O | 3 |
[CH3:1][C:2]1[CH:10]=[C:9]([C:11]([F:14])([F:13])[F:12])[CH:8]=[CH:7][C:3]=1[C:4]([OH:6])=O.C[O:16][C:17](=[O:37])[CH2:18][CH2:19][C:20]1[CH:25]=[CH:24][C:23]([O:26][C:27]2[CH:32]=[C:31]([F:33])[CH:30]=[C:29]([CH2:34][NH2:35])[CH:28]=2)=[CH:22][C:21]=1[CH3:36]>>[F:33][C:31]1[CH:32]=[C:27]([CH:28]=[C:29]([CH2:34][NH:35]... | 2 |
ClCC(=O)Cl.COC(C(C)(C1=C(C=CC(=C1)Br)F)N)=O>ClCCl.C(C)(C)N(C(C)C)CC>COC(C(C)(NC(CCl)=O)C1=C(C=CC(=C1)Br)F)=O | 3 |
C(Cl)CCl.Cl.[O:6]=[C:7]1[NH:16][C:15]2[N:14]=[CH:13][C:12](/[CH:17]=[CH:18]/[C:19]([OH:21])=O)=[CH:11][C:10]=2[CH2:9][CH2:8]1.[CH3:22][NH:23][CH2:24][C:25]1[C:33]2[CH:32]=[CH:31][CH:30]=[CH:29][C:28]=2[N:27]2[CH2:34][CH2:35][CH2:36][C:26]=12.C1C=CC2N(O)N=NC=2C=1.CCN(CC)CC>CN(C=O)C.O>[CH2:36]1[C:26]2=[C:25]([CH2:24][N:2... | 1 |
C(#N)C1(CC1)C1=CC(=C(C(=O)OC)C=C1)SCC>O.C1CCCO1.[OH-].[Li+]>C(#N)C1(CC1)C1=CC(=C(C(=O)O)C=C1)SCC | 3 |
[Li]CCCC.C[Si](C)(C)N[Si](C)(C)C.[CH2:15]1[CH:19]2[CH2:20][C:21](=[O:22])[CH:17]([CH2:18]2)[CH2:16]1.[C:23]1(=[O:29])[O:28][C:26](=[O:27])[CH2:25][CH2:24]1>CCCCCC.C1COCC1.O>[OH:29][C:23](=[C:20]1[C:21](=[O:22])[CH:17]2[CH2:18][CH:19]1[CH2:15][CH2:16]2)[CH2:24][CH2:25][C:26]([OH:28])=[O:27] | 2 |
ClCC(=O)Cl.NC1=CC2=C(C=C1C(C)=O)OCO2>C1CCCO1.CCN(CC)CC.C(C)(=O)OCC>N1CC(CCC1)C1=NC2=C(N1)C=CC=C2 | 3 |
N1=CC(=CC=C1)C=O.ClC1=C(N=NC(=C1)Cl)C1=CC=CC=C1>>ClC=1N=NC(=C(C1C(O)C=1C=NC=CC1)Cl)C1=CC=CC=C1 | 5 |
C1(CCCC1)N1N=CC=2C1=NC(=NC2)C(=O)OC>O.C1CCCO1.Cl.O[Li].O>C1(CCCC1)N1N=CC=2C1=NC(=NC2)C(=O)O | 3 |
[CH3:1][N:2]1[C:6]([S:7][CH2:8][C:9]2[N:13]([CH2:14][CH2:15][CH3:16])[CH:12]=[N:11][CH:10]=2)=[N:5][C:4]([N+:17]([O-])=O)=[N:3]1.[Cl-].[Ca+2].[Cl-]>C(O)C>[CH3:1][N:2]1[C:6]([S:7][CH2:8][C:9]2[N:13]([CH2:14][CH2:15][CH3:16])[CH:12]=[N:11][CH:10]=2)=[N:5][C:4]([NH2:17])=[N:3]1 | 1 |
FC(C1=NN(C=C1[N+](=O)[O-])C1CCN(CC1)C(=O)OCC1=CC=CC=C1)F>O.[Fe].[Cl-].[NH4+]>NC=1C(=NN(C1)C1CCN(CC1)C(=O)OCC1=CC=CC=C1)C(F)F | 3 |
C(C1=CC=CC=C1)N(C1CCC(CC1)(NCC(F)(F)F)C)CC1=CC=CC=C1>CCO[H].O.O.[Pd].[HH]>CC1(CCC(CC1)N)NCC(F)(F)F | 3 |
C(C(=O)OCC)(=O)OCC.BrC1=CC2=C(SC=C2)C=C1OC>C1(=CC=NC=C1)N(C)C.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-].[Cl-].[Pd+2].CN1C(CCC1)=O>COC=1C(=CC2=C(SC=C2)C1)C(=O)OCC | 3 |
[OH:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[CH2:7][CH:6]([C:11]([OH:13])=[O:12])[CH2:5]2.OS(O)(=O)=O.[CH3:19]O>CCOC(C)=O>[OH:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[CH2:7][CH:6]([C:11]([O:13][CH3:19])=[O:12])[CH2:5]2 | 2 |
ClC1=C(C(=NN1C)C(F)F)C(=O)N[C@@H](C)C1=CC=C(C(=O)OC)C=C1.FC(C)(F)C=1C=C(C=CC1)O>N(C)(C)C=O.[OH-].[K+]>FC(C)(F)C=1C=C(OC2=C(C(=NN2C)C(F)F)C(=O)N[C@@H](C)C2=CC=C(C(=O)OC)C=C2)C=CC1 | 3 |
S1C=C(C=C1)CCO>ClCCl.CCN(CC)CC.C1(=CC=C(C=C1)S(=O)(=O)Cl)C>CC1=CC=C(C=C1)S(=O)(=O)OCCC1=CSC=C1 | 3 |
Cl[C:2](Cl)([O:4]C(=O)OC(Cl)(Cl)Cl)Cl.[Br:13][C:14]1[CH:15]=[C:16]2[C:20](=[CH:21][CH:22]=1)[CH2:19][C@@H:18]([NH2:23])[CH2:17]2.CCN(CC)CC.[CH2:31]([NH:33][C:34]1[CH:39]=[C:38]([O:40][C:41]2[CH:47]=[CH:46][C:44]([NH2:45])=[CH:43][CH:42]=2)[N:37]=[CH:36][N:35]=1)[CH3:32]>C(Cl)Cl>[CH2:31]([NH:33][C:34]1[CH:39]=[C:38]([O:... | 1 |
Cl.C(#N)C1(CCNCC1)C1=CC=CC=C1.N1N=C(C2=CC=CC=C12)NC(OCC)=O>>N1N=C(C2=CC=CC=C12)NC(=O)N1CCC(CC1)(C1=CC=CC=C1)C#N | 5 |
C1(=CC=CC=C1)N1N=CC=C1>>BrC=1C=NN(C1)C1=CC=CC=C1 | 5 |
NC1C([N+]([O-])=O)=C(N2CCN(CC(NC3SC=CN=3)=O)CC2)C(Cl)=CN=1.[NH2:27][C:28]1[C:33]([N+:34]([O-:36])=[O:35])=[C:32](Cl)[C:31]([Cl:38])=[CH:30][N:29]=1.[CH3:39][O:40][C:41]1[CH:46]=[CH:45][C:44]([C:47]([N:49]2[CH2:54][CH2:53][NH:52][CH2:51][CH2:50]2)=[O:48])=[CH:43][CH:42]=1>C(O)(C)C>[NH2:27][C:28]1[C:33]([N+:34]([O-:36])=... | 1 |
C(=S)(Cl)Cl.[Si](C)(C)(C(C)(C)C)OC1=C(N)C=CC(=C1)[N+](=O)[O-]>>[Si](C)(C)(C(C)(C)C)OC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC1=CC=CC=C1 | 5 |
C1COCCN1.IC1=CN=C2N1C=C(N=C2)C2=CC=C(C(=O)O)C=C2>N(C)(C)C=O.CN1CCOCC1.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>IC1=CN=C2N1C=C(N=C2)C2=CC=C(C=C2)C(=O)N2CCOCC2 | 3 |
[I:1][C:2]1[CH:3]=[CH:4][CH:5]=[C:6]2[C:11]=1[CH:10]=[C:9]([OH:12])[CH:8]=[CH:7]2.N1C=CN=C1.[CH:18]([Si:21](Cl)([CH:25]([CH3:27])[CH3:26])[CH:22]([CH3:24])[CH3:23])([CH3:20])[CH3:19]>CN(C=O)C>[CH:18]([Si:21]([CH:25]([CH3:27])[CH3:26])([CH:22]([CH3:24])[CH3:23])[O:12][C:9]1[CH:10]=[C:11]2[C:6]([CH:5]=[CH:4][CH:3]=[C:2]2... | 1 |
NC1=NC=C(C2=CC(=CC=C12)F)Br>>BrC1=CN=C(C2=CC=C(C=C12)NN)N | 5 |
CC(C)O.N.ClC=1C2=C(N=CN1)C=CC(=N2)C=2C(=NC=CC2)C2=NC(=CC=C2)C>>CC1=CC=CC(=N1)C1=NC=CC=C1C=1C=CC=2N=CN=C(C2N1)N | 5 |
N1N=CC=C1.ClC=1C(=NN(C1OC(F)F)C)C=1C(=CC(=C(OC(C(=O)Cl)C)C1)Cl)Cl>C1CCCO1.CNC>ClC=1C(=NN(C1OC(F)F)C)C=1C(=CC(=C(OC(C(=O)N(C)C)C)C1)Cl)Cl | 3 |
[CH3:1][C:2]1([CH3:27])[CH2:7][CH2:6][CH:5]([C:8]2[S:26][C:11]3[N:12]=[C:13]([CH3:25])[N:14]=[C:15]([CH2:16][N:17]4[CH2:22][CH2:21][NH:20][CH2:19][C:18]4([CH3:24])[CH3:23])[C:10]=3[CH:9]=2)[CH2:4][CH2:3]1.[C:28](O)(=[O:31])[CH2:29][OH:30].CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.CCN(C(C)C)C(C)C.[NH4+].[Cl... | 1 |
ClC1=CC=C(OC2=CC=C(C=C2)C=2C(C3(ON2)CCCCC3)(O)CN3N=CN=C3)C=C1>C1CCCO1.[H-].[Na+]>ClC1=CC=C(OC2=CC=C(C=C2)C=2C(C3(ON2)CCCCC3)(CN3N=CN=C3)OC)C=C1 | 3 |
C(C(=O)O)(=O)O.C(C)(C)(C)OC(CCC1=C(C=C(C=C1)O)CN)=O>>C(C(=O)O)(=O)O.C(C)(C)(C)OC(CCC1=C(C=C(C=C1)O)CN)=O | 5 |
[Si](C)(C)(C(C)(C)C)C#CC1=CC(=C(S1)NC1=NC(=CC=C1)CN1CCOCC1)C(=O)N>C1CCCO1.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC>C(#C)C1=CC(=C(S1)NC1=NC(=CC=C1)CN1CCOCC1)C(=O)N | 3 |
[CH2:1]1[CH2:11][C:9](=O)[C:8]2[C:3](=[CH:4][CH:5]=[CH:6][CH:7]=2)[CH2:2]1.Cl.[NH2:13][OH:14].O.C(=O)([O-])[O-].[Na+].[Na+]>CO>[C:9]1(=[N:13]/[OH:14])\[CH2:11][CH2:1][CH2:2][C:3]2[C:8]\1=[CH:7][CH:6]=[CH:5][CH:4]=2 | 1 |
[C:1]1([C:7]2[N:11]([C:12]3[CH:17]=[CH:16][C:15]([S:18]([NH2:21])(=[O:20])=[O:19])=[CH:14][CH:13]=3)[N:10]=[C:9]([CH:22]([F:24])[F:23])[CH:8]=2)[CH2:6][CH2:5][CH2:4][CH2:3][CH:2]=1>C(O)C.[Pd]>[CH:1]1([C:7]2[N:11]([C:12]3[CH:17]=[CH:16][C:15]([S:18]([NH2:21])(=[O:19])=[O:20])=[CH:14][CH:13]=3)[N:10]=[C:9]([CH:22]([F:23]... | 1 |
[CH:1]1([C:7]2[C:13]3[CH:14]=[CH:15][CH:16]=[CH:17][C:12]=3[NH:11][C:10](=[O:18])[CH:9]([NH:19][C:20]([O:22][CH2:23][C:24]3[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=3)=[O:21])[N:8]=2)[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.[H-].[Na+].I[CH2:33][CH:34]([CH3:36])[CH3:35]>CN(C)C=O>[CH:1]1([C:7]2[C:13]3[CH:14]=[CH:15][CH:16]=[CH:1... | 1 |
ClCC=1NC2=C(N1)C=CC=C2.N1=C(C=CC=C1)N1CCNCC1>N(C)(C)C=O.CCN(CC)CC>N1=C(C=CC=C1)N1CCN(CC1)CC1=NC2=C(N1)C=CC=C2 | 3 |
[CH:1]1([N:6]2[C:15]3[N:14]=[C:13]([NH:16][C:17]4[CH:22]=[CH:21][C:20]([C:23](=[O:26])[NH:24][CH3:25])=[CH:19][C:18]=4[O:27][CH3:28])[N:12]=[CH:11][C:10]=3[N:9]3[CH:29]=[N:30][C:31](C(OCC=C)=O)=[C:8]3[C@H:7]2[CH2:38][CH3:39])[CH2:5][CH2:4][CH2:3][CH2:2]1.O>C(#N)C1C=CC=CC=1.C1(C)C=CC=CC=1.C1C=CC([P]([Pd]([P](C2C=CC=CC=2... | 1 |
C1(=C(C(=O)C(=C(C1=O)Cl)Cl)Cl)Cl.BrC1=CC=2C(C3=CC=4SC5=CC=C(C=C5C(C4C=C3SC2C=C1)C1=CC=C(C=C1)C(CCCCCC)CCCCCC)Br)C1=CC=C(C=C1)C(CCCCCC)CCCCCC>>BrC1=CC=2C(=C3C=C4SC5=CC=C(C=C5C(=C4C=C3SC2C=C1)C1=CC=C(C=C1)C(CCCCCC)CCCCCC)Br)C1=CC=C(C=C1)C(CCCCCC)CCCCCC | 5 |
BrC1=C(C=C2C(=NC=NC2=C1)N1CCN(CC1)C(=O)OC(C)(C)C)Cl>O1CCOCC1.Cl[Pd]Cl.B1(OC(C(O1)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C.C(C)(=O)[O-].[K+]>ClC=1C=C2C(=NC=NC2=CC1B1OC(C(O1)(C)C)(C)C)N1CCN(CC1)C(=O)OC(C)(C)C | 3 |
[CH3:1][C:2]1[CH:3]=[CH:4][C:5]([OH:24])=[C:6]([C@@H:8]([C:18]2[CH:19]=[CH:20][CH:21]=[CH:22][CH:23]=2)[CH2:9][CH2:10][N:11]([CH:15]([CH3:17])[CH3:16])[CH:12]([CH3:14])[CH3:13])[CH:7]=1.[C:25]([OH:34])(=[O:33])[CH:26]([CH:28]([C:30]([OH:32])=[O:31])[OH:29])[OH:27]>>[CH3:1][C:2]1[CH:3]=[CH:4][C:5]([OH:24])=[C:6]([C@@H:8... | 1 |
ClC=1C=C(C=CC1OC(F)F)C1=NC(=NO1)C1=C2C=CN=C(C2=CC=C1)CCC(=O)OC(C)(C)C>>ClC=1C=C(C=CC1OC(F)F)C1=NC(=NO1)C1=C2C=CN=C(C2=CC=C1)CCC(=O)O | 5 |
FC1=CC=C(C=O)C=C1.C(CC#N)#N.COC1=CC=C(C=C1)C1=NN(C(C1)=O)C>CCN(CC)CC.CCO[H]>NC1=C(C(C2=C(N(N=C2C2=CC=C(C=C2)OC)C)O1)C1=CC=C(C=C1)F)C#N | 3 |
C1(=CC=C(C=C1)OC)O[H].C(C=C)(=O)OCC>C1=CC=CC=2SC3=CC=CC=C3NC12.CNC>CN(C)CCC(=O)OCC | 3 |
[F:1][C:2]([C:5]1[CH:10]=[CH:9][C:8]([CH2:11][OH:12])=[CH:7][CH:6]=1)([F:4])[CH3:3].C(=O)(O)[O-].[Na+].CC(OI1(OC(C)=O)(OC(C)=O)OC(=O)C2C=CC=CC1=2)=O>C(Cl)Cl>[F:1][C:2]([C:5]1[CH:10]=[CH:9][C:8]([CH:11]=[O:12])=[CH:7][CH:6]=1)([F:4])[CH3:3] | 2 |
FC=1C=CC2=C(C(=CO2)CO)C1>ClCCl.CCN(CC)CC.C(C(=O)Cl)(=O)Cl.CS(=O)C>FC=1C=CC2=C(C(=CO2)C=O)C1 | 3 |
[C:1]([O:5][C:6]([NH:8][CH:9]1[CH2:14][CH2:13][NH:12][CH2:11][CH2:10]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[C:15](#N)[CH3:16].CC[C:20]([C:22](Cl)=[O:23])=[O:21].C(=O)([O-])[OH:26].[Na+]>C(N(CC)CC)C>[C:1]([O:5][C:6]([NH:8][CH:9]1[CH2:10][CH2:11][N:12]([C:22](=[O:23])[C:20]([O:26][CH2:15][CH3:16])=[O:21])[CH2:13][CH2:14]1)=... | 1 |
Cl.O=C1CCC(NC1)C(=O)O>CO[H].ClS(Cl)=O>Cl.COC1(CCC(NC1)C(=O)OC)OC.COC1(CCC(NC1)C(=O)OC)OC | 3 |
COC1=C(C=CC=C1)N1CCC(CC1)(C1=CC(=CC=C1)OC)CO>>COC1=C(C=CC=C1)N1CCC(CC1)(CN1CCCCC1)C1=CC(=CC=C1)OC | 5 |
[N+](=O)([O-])C=1C(=CC2=C(CCO2)C1)C(F)(F)F>O.[Fe].CCO[H].Cl>FC(C1=CC2=C(CCO2)C=C1N)(F)F | 3 |
Cl.CN.FC=1C=C(C=CC1F)[C@H]1[C@@H](CN(C1)CCOC)NC(NC1=C(C(=NN1C1=CC=CC=C1)C(=O)O)C)=O>>FC=1C=C(C=CC1F)[C@H]1[C@@H](CN(C1)CCOC)NC(NC1=C(C(=NN1C1=CC=CC=C1)C(=O)NC)C)=O | 5 |
C1(CCCCCN1)=O>O1CCOCC1.BrC1=CC=CC=C1.C(=O)([O-])[O-].[Cs+].[Cs+]>C1(=CC=CC=C1)N1C(CCCCC1)=O | 3 |
OCP(OCC)(OCC)=O.CC=1SC=C(N1)CCl>N(C)(C)C=O.[H-].[Na+]>CC=1SC=C(N1)COCP(=O)(OCC)OCC | 3 |
C(C(C)C)C1=CC=C(C=C1)C1=NN=C(O1)C1=CC=C(C=O)C=C1.Cl.C(C)OC(=O)[C@@H]1C[C@@H](C1)N>ClCCl.CCN(CC)CC.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>C(C(C)C)C1=CC=C(C=C1)C1=NN=C(O1)C1=CC=C(CN[C@H]2C[C@H](C2)C(=O)OCC)C=C1 | 3 |
[C:1]([N:3]=[C:4](SC)[NH:5][CH2:6][CH2:7][S:8][CH2:9][C:10]1[N:14]=[C:13]([NH:15][C:16]([NH2:18])=[NH:17])[S:12][N:11]=1)#[N:2].[CH3:21][NH2:22]>C(O)C>[C:1]([N:3]=[C:4]([NH:22][CH3:21])[NH:5][CH2:6][CH2:7][S:8][CH2:9][C:10]1[N:14]=[C:13]([NH:15][C:16]([NH2:18])=[NH:17])[S:12][N:11]=1)#[N:2] | 1 |
ClC1=NC=CC(=C1)C(=O)O>N(C)(C)C=O.C(Cl)(Cl)(Cl)[H].ClS(Cl)=O>COC(=O)C1=CC(=NC=C1)Cl | 3 |
Br[CH:2]([CH3:14])[C:3]([NH:5][C:6]1[CH:11]=[CH:10][CH:9]=[C:8]([Br:12])[C:7]=1[OH:13])=[O:4].C(=O)([O-])[O-].[K+].[K+]>CN(C=O)C.O>[Br:12][C:8]1[C:7]2[O:13][CH:2]([CH3:14])[C:3](=[O:4])[NH:5][C:6]=2[CH:11]=[CH:10][CH:9]=1 | 1 |
[C:1]1(=[O:11])C2C(=CC=CC=2)C=[CH:3][CH2:2]1.[C:12]1([OH:23])[C:21]2[CH2:20][CH2:19][CH:18]([OH:22])[CH2:17][C:16]=2[CH:15]=[CH:14][CH:13]=1>>[O:11]1[CH2:1][CH:2]1[CH2:3][O:23][C:12]1[CH:13]=[CH:14][CH:15]=[C:16]2[C:21]=1[CH2:20][CH2:19][CH:18]([OH:22])[CH2:17]2 | 1 |
S(=O)(=O)(O)O.N[C:7]1[CH:12]=[CH:11][C:10]([CH:13]([CH3:21])[CH2:14][CH2:15][C:16]([O:18][CH2:19][CH3:20])=[O:17])=[CH:9][CH:8]=1.N([O-])=[O:23].[Na+]>O.S([O-])([O-])(=O)=O.[Cu+2]>[OH:23][C:7]1[CH:12]=[CH:11][C:10]([CH:13]([CH3:21])[CH2:14][CH2:15][C:16]([O:18][CH2:19][CH3:20])=[O:17])=[CH:9][CH:8]=1 | 1 |
Cl.[Cl:2][C:3]1[CH:16]=[CH:15][CH:14]=[CH:13][C:4]=1[O:5][CH2:6][CH:7]1[O:12][CH2:11][CH2:10][NH:9][CH2:8]1.[CH3:17][C:18]1[CH:23]=[C:22]([CH3:24])[N:21]=[C:20]([NH:25][C:26](=O)[O:27]C2C=CC=CC=2)[CH:19]=1>>[Cl:2][C:3]1[CH:16]=[CH:15][CH:14]=[CH:13][C:4]=1[O:5][CH2:6][CH:7]1[O:12][CH2:11][CH2:10][N:9]([C:26]([NH:25][C:... | 2 |
OC1CCN(CC1)C.FC1=C(C=C(C#N)C=C1)C(F)(F)F>CC(C)(C)[O-].[K+].C1CCCO1>CN1CCC(CC1)OC1=C(C=C(C#N)C=C1)C(F)(F)F | 3 |
N1=CC(=CC=C1)B(O)O.BrC1=CC=C(C=C1)OCCCCCCCC>O.ClCCl.C([O-])([O-])=O.[K+].[K+].O1CCOCC1.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.Cl[Pd]Cl.[Fe+2]>C(CCCCCCC)OC1=CC=C(C=C1)C=1C=NC=CC1 | 3 |
ClCC=1N=C(SC1)C1CCC(CC1)OC1=NC=C(C=N1)CC.CC1=NN(C=N1)C1=CC=C(C=C1)O>>C(C)C=1C=NC(=NC1)OC1CCC(CC1)C=1SC=C(N1)COC1=CC=C(C=C1)N1N=C(N=C1)C | 5 |
C(C1=CC=CC=C1)OC1=C(C=C(C=C1)CO)[C@H](CCN(C(C)C)C(C)C)C1=CC=CC=C1>CO[H].[HH].[Pd]>C(C)(C)N(CC[C@H](C1=CC=CC=C1)C1=C(C=CC(=C1)CO)O)C(C)C | 3 |
ClC(C(=O)OCC)C(=O)C.CC=1C=C(C=CC1)CC(N)=S>>CC=1N=C(SC1C(=O)OCC)CC1=CC(=CC=C1)C | 5 |
[CH3:1][N:2]1[C:7]([NH:8][CH2:9][CH2:10][CH2:11]Cl)=[C:6]([CH3:13])[C:5](=[O:14])[N:4]([CH3:15])[C:3]1=[O:16].CN1C(NCCCO)=C(C)C(=O)N(C)C1=O.S(Cl)(Cl)=O.[OH:37][C:38]1[CH:43]=[CH:42][CH:41]=[CH:40][C:39]=1[N:44]1[CH2:49][CH2:48][NH:47][CH2:46][CH2:45]1>C1(C)C(C)=CC=CC=1.C(N(CCC)CCC)CC>[CH3:1][N:2]1[C:7]([NH:8][CH2:9][CH... | 1 |
C(CC=C)[Mg]Br.[Si](C)(C)(C(C)(C)C)OCC=1N(C2=CC(=C(C=C2C1)C=O)C=C)C>C1CCCO1>[Si](C)(C)(C(C)(C)C)OCC=1N(C2=CC(=C(C=C2C1)C(CCC=C)O)C=C)C | 3 |
C(C)(C)(C)N.BrC=1C=C(C(=O)Cl)C=CC1>ClCCl.C(C)(C)N(C(C)C)CC>BrC=1C=C(C(=O)NC(C)(C)C)C=CC1 | 3 |
[NH2:1][C:2]1[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=2)[CH:5]=[CH:4][C:3]=1[C:12]([OH:21])([C:17]([F:20])([F:19])[F:18])[C:13]([F:16])([F:15])[F:14].[CH:22]1([C:28](Cl)=[O:29])[CH2:27][CH2:26][CH2:25][CH2:24][CH2:23]1>>[F:20][C:17]([F:18])([F:19])[C:12]([C:3]1[CH:4]=[CH:5][C:6]2[C:11](=[CH:10][CH:9]=[CH:8][CH:7]=2)[C:... | 2 |
C(C)OC(OCC)OCC.NC1=C(C(=O)NC=2C=C(C(=O)NC3CC3)C=CC2C)C=CC=C1>CCO[H].C(C)(=O)O>C1(CC1)NC(C1=CC(=C(C=C1)C)N1C=NC2=CC=CC=C2C1=O)=O | 3 |
C(C)(C)(C)OC(CC(CCC1=CC=C(C=C1)C1=CC=CC=C1)=O)=O>>C(C)(C)(C)OC(CC(CCC1=CC=C(C=C1)C1=CC=CC=C1)O)=O | 5 |
C(=S)=S.NCCOC1=CC(=C(C2=CC=CC=C12)O)C(NCCCCCCCCCCCCCCCC)=O>O.CO[H].CCN(CC)CC.ClC(=O)OCC>N(=C=S)CCOC1=CC(=C(C2=CC=CC=C12)O)C(NCCCCCCCCCCCCCCCC)=O | 3 |
[NH2:1][C@@H:2]([CH2:22][C:23]1[CH:28]=[CH:27][C:26]([CH:29]2[S:33](=[O:35])(=[O:34])[NH:32][C:31](=[O:36])[CH2:30]2)=[C:25]([Br:37])[CH:24]=1)[C:3]([NH:5][CH2:6][CH2:7][CH2:8][CH2:9][O:10][C:11]1[CH:20]=[CH:19][CH:18]=[C:17]([OH:21])[C:12]=1[C:13]([O:15][CH3:16])=[O:14])=[O:4].C(N(CC)C(C)C)(C)C.[N:47]1([C:53](Cl)=[O:5... | 1 |
[C:1]1([CH:8]=[CH:7][C:5]([OH:6])=[CH:4][CH:3]=1)[OH:2].C(Cl)(=[O:13])CCC>>[C:5]([OH:13])(=[O:6])[CH2:7][CH2:8][CH3:1].[C:1]1([CH:8]=[CH:7][C:5]([OH:6])=[CH:4][CH:3]=1)[OH:2] | 1 |
FC(C1=C(C(=O)Cl)C=CC=C1)(F)F.NC=1C=C(C2=C(NC(=N2)Cl)C1)C(=O)OC>>ClC1=NC2=C(N1)C=C(C=C2C(=O)OC)NC(=O)C2=C(C=CC=C2)C(F)(F)F | 5 |
[F:1][C:2]([Si](C)(C)C)([F:4])[F:3].[F-].[Cs+].[Br:11][C:12]1[CH:13]=[C:14]2[C:18](=[CH:19][CH:20]=1)[CH2:17][C:16](=[O:21])[CH2:15]2.[F-].C([N+](CCCC)(CCCC)CCCC)CCC>C1COCC1.O>[Br:11][C:12]1[CH:13]=[C:14]2[C:18](=[CH:19][CH:20]=1)[CH2:17][C@@:16]([C:2]([F:4])([F:3])[F:1])([OH:21])[CH2:15]2 | 2 |
[Cl:1][C:2]1[NH:10][C:9]2[C:8](=[O:11])[N:7]([CH2:12][CH2:13][CH2:14][CH2:15][C:16]([OH:18])=O)[C:6](=[O:19])[N:5]([CH2:20][CH2:21][CH2:22][CH2:23][CH3:24])[C:4]=2[N:3]=1.C1N=CN(C(N2C=NC=C2)=O)C=1.O[NH:38][C:39]([C:41]1[CH:46]=[CH:45][C:44]([OH:47])=[CH:43][CH:42]=1)=[NH:40]>CN(C=O)C>[Cl:1][C:2]1[NH:10][C:9]2[C:8](=[O:... | 2 |
FC1=CC=C(C=C1)N1CN(C(C12CCNCC2)=O)CC=2C=C(C(=O)OC(C)(C)C)C=CC2.ClCCCN1C(C2(C3=CC=CC=C13)CC2)=O>>FC1=CC=C(C=C1)N1CN(C(C12CCN(CC2)CCCN2C(C1(C3=CC=CC=C23)CC1)=O)=O)CC=1C=C(C(=O)OC(C)(C)C)C=CC1 | 5 |
C1(=CC=CC=C1)O.BrC(C)C1=CC=C(C(=O)NC2CC(NC(C2)(C)C)(C)C)C=C1>>O(C1=CC=CC=C1)C(C)C1=CC=C(C(=O)NC2CC(NC(C2)(C)C)(C)C)C=C1 | 5 |
[CH2:1]([O:8][C:9]1[C:14](=[O:15])[N:13]2[CH:16]=[C:17]([CH3:19])[S:18][C:12]2=[N:11][C:10]=1[C:20](O)=[O:21])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.Cl.[NH2:24][CH2:25][C:26](=[O:36])[CH2:27][C:28]1[CH:33]=[CH:32][C:31]([Cl:34])=[C:30]([Cl:35])[CH:29]=1>>[Cl:35][C:30]1[CH:29]=[C:28]([CH2:27][C:26](=[O:36])[CH2:25][NH... | 1 |
Cl[C:2]1[C:7]([C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=2)=[N:6][N:5]=[C:4]2[N:14]([CH3:18])[N:15]=[C:16]([I:17])[C:3]=12.[OH-:19].[Na+]>CS(C)=O.O1CCOCC1>[I:17][C:16]1[C:3]2[C:2]([OH:19])=[C:7]([C:8]3[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=3)[N:6]=[N:5][C:4]=2[N:14]([CH3:18])[N:15]=1 | 1 |
Cl.C(C)(C)(C)OC([C@H](N)CCCCNC(=O)OC(C)(C)C)=O.FC1=CC=C(C=C1)N1[C@@H]([C@H](C1=O)SCC(O)C1=CC=C(C=C1)F)C1=CC=C(OCC(=O)N[C@@H](C(=O)O)C2=CC=CC=C2)C=C1>>FC1=CC=C(C=C1)N1[C@@H]([C@H](C1=O)SCC(O)C1=CC=C(C=C1)F)C1=CC=C(OCC(=O)N[C@@H](C(=O)N[C@H](CCCCN)C(=O)O)C2=CC=CC=C2)C=C1 | 5 |
C1(CCC1)CN1[C@H]2[C@@]3(CCC([C@H]4[C@]3(CC1)C1=C(O4)C(=CC=C1C2)C(=O)NCC2=C(C=C(C=C2)OC)OC)=O)O>>C1(CCC1)CN1[C@H]2[C@@]3(CCC([C@H]4[C@]3(CC1)C1=C(O4)C(=CC=C1C2)C(=O)N)=O)O | 5 |
C(=O)(OC(C)(C)C)N1CCNCC1.ClC(Cl)(OC(OC(Cl)(Cl)Cl)=O)Cl.C(C)(CC)C1=CC=C(N)C=C1>CC#N.C(O)([O-])=O.[Na+]>C(C)(CC)C1=CC=C(C=C1)NC(=O)N1CCN(CC1)C(=O)OC(C)(C)C | 3 |
ClC1=CC(=C(COC2=CC=CC(=N2)C2(CCN(CC2)C(=O)OC(C)(C)C)C#N)C=C1)F>ClCCl.C(=O)(C(F)(F)F)O.C(O)([O-])=O.[Na+]>ClC1=CC(=C(COC2=CC=CC(=N2)C2(CCNCC2)C#N)C=C1)F | 3 |
CI.C(C1=CC=CC=C1)OC=1C(=NC=CC1CC(=O)O)C>>C(C1=CC=CC=C1)OC=1C(=NC=CC1CC(=O)OC)C | 5 |
BrC1=NC=C(C=C1)C1N(CCC1)C>>CN1C(CCC1)C=1C=CC(=NC1)CO | 5 |
COC1=NC(=NC=C1)CO>O.ClCCl.CCN(CC)CC.C(C(=O)Cl)(=O)Cl.CS(=O)C>COC1=NC(=NC=C1)C=O | 3 |
[CH2:1]([O:8][C:9]1[CH:14]=[CH:13][C:12]([C:15]2[CH:20]=[CH:19][C:18]([O:21][C:22]([F:25])([F:24])[F:23])=[CH:17][CH:16]=2)=[CH:11][C:10]=1[CH:26]=O)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C(O)(=O)[CH2:29][C:30]([OH:32])=[O:31].N1CCCCC1.Cl>N1C=CC=CC=1>[CH2:1]([O:8][C:9]1[CH:14]=[CH:13][C:12]([C:15]2[CH:16]=[CH:17][C:1... | 1 |
Cl.[CH3:2][O:3][C:4]1[CH:9]=[CH:8][C:7]([C:10]2[O:11][C:12]([CH3:17])=[C:13]([CH3:16])[N+:14]=2[O-])=[CH:6][CH:5]=1.C[O:19][C:20]1C=CC(C2OC(C)=C(C)N=2)=C[CH:21]=1.C([O:37]C)(C)(C)C>[Zn]>[CH3:2][O:3][C:4]1[CH:9]=[CH:8][C:7]([C:10]2[O:11][C:12]([CH3:17])=[C:13]([C:16]([O:19][CH2:20][CH3:21])=[O:37])[N:14]=2)=[CH:6][CH:5]... | 1 |
[C:1](=[O:6])([O:4][CH3:5])OC.[H-].[Na+].[CH2:9]1[C:14]2([CH2:19][CH2:18][CH2:17][CH2:16][CH2:15]2)[CH2:13][CH2:12][C:11](=[O:20])[CH2:10]1.C(O)(=O)C>O1CCCC1.CC(C)([O-])C.[K+]>[CH3:5][O:4][C:1]([CH:12]1[C:11](=[O:20])[CH2:10][CH2:9][C:14]2([CH2:19][CH2:18][CH2:17][CH2:16][CH2:15]2)[CH2:13]1)=[O:6] | 1 |
[F:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[F:8].[Li]CCCC.[F:14][CH2:15][C:16](OCC)=[O:17]>C1COCC1>[F:1][C:2]1[C:3]([F:8])=[CH:4][CH:5]=[CH:6][C:7]=1[C:16](=[O:17])[CH2:15][F:14] | 2 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.