smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C([O:3][C:4](=[O:34])[CH:5]([CH2:8][C:9]1[CH:14]=[CH:13][C:12]([O:15][CH2:16][C:17]2[S:21][C:20]([C:22]3[CH:27]=[CH:26][C:25]([C:28]([F:31])([F:30])[F:29])=[CH:24][CH:23]=3)=[N:19][C:18]=2[CH3:32])=[CH:11][C:10]=1[CH3:33])[CH2:6][CH3:7])C.[OH-].[Na+]>>[CH3:33][C:10]1[CH:11]=[C:12]([O:15][CH2:16][C:17]2[S:21][C:20]([C:2... | 1 |
BrC1=CC=C(N)C=C1.CC(C)S(=O)(=O)Cl>ClCCl.CCN(CC)CC>BrC1=CC=C(C=C1)NS(=O)(=O)C(C)C | 3 |
FC=1C=C(OC=2C=CC(=C3C(CCC23)=O)S(=O)(C)=N)C=C(C1)F>C(=O)(C(F)(F)F)O.C1=CC=CC=C1.C(CCC)N>C(CCC)N=C1CCC2=C(C=CC(=C12)S(=O)(C)=N)OC1=CC(=CC(=C1)F)F | 3 |
O1CCOC12CCC(CC2)OC2=C(C=CC(=C2)F)NC=2C1=C(N=CN2)SC(=C1C)C(=O)OC>O.C1CCCO1.C1(=CC=C(C=C1)S(=O)(=O)O)C.C([O-])([O-])=O.[Na+].[Na+]>FC1=CC(=C(C=C1)NC=1C2=C(N=CN1)SC(=C2C)C(=O)OC)OC2CCC(CC2)=O | 3 |
BrC1=CC(=C(C=C1)N1[C@@H](CC(CC1)=O)C(=O)O)[N+](=O)[O-]>CO[H].[Na+].[BH4-]>BrC1=CC(=C(C=C1)N1[C@@H](CC(CC1)O)C(=O)O)[N+](=O)[O-] | 3 |
[Cl:1][C:2]1[C:3]([O:23][CH:24]([CH3:26])[CH3:25])=[C:4]([C:17]([CH3:22])=[C:18]([F:21])[CH2:19][OH:20])[CH:5]=[C:6]2[C:11]=1[O:10][C:9]([CH3:13])([CH3:12])[CH:8]=[C:7]2[CH:14]([CH3:16])[CH3:15].ClC1C(OC(C)C)=C(/C(/C)=C(/F)\CO)C=C2C=1OC(C)(C)C=C2C(C)C.C([N+](CCC)(CCC)CCC)CC.C[N+]1([O-])CCOCC1>>[Cl:1][C:2]1[C:3]([O:23][... | 1 |
C(C1=CC=CC=C1)(=O)C1=CC=2N(C(=N1)NCC1=CC(=C(C=C1)OC)OC)N=C(N2)C=2OC=CC2>ClCCl.ClC=1C(C(=C(C(C1Cl)=O)C#N)C#N)=O>NC1=NC(=CC=2N1N=C(N2)C=2OC=CC2)C(C2=CC=CC=C2)=O | 3 |
ClC=1C(=CC=C2N=CC(=NC12)C=1C=NN(C1)C1CC(C1)=O)OC1=CC2=C(N=C(N2COCC[Si](C)(C)C)C)C=C1>ClCCl.C(O)([O-])=O.[Na+].COCCN(CCOC)S(F)(F)F>ClC1=C2N=C(C=NC2=CC=C1OC=1C=CC2=C(N(C(=N2)C)COCC[Si](C)(C)C)C1)C=1C=NN(C1)C1CC(C1)(F)F | 3 |
CC(C)([O-])C.[K+].[CH3:7][O:8][N:9]=[C:10]1[C:14]2[CH:15]=[CH:16][CH:17]=[CH:18][C:13]=2[O:12][CH2:11]1.[N:19](OC(C)(C)C)=[O:20].Cl>C(O)(C)(C)C>[CH3:7][O:8][N:9]=[C:10]1[C:14]2[CH:15]=[CH:16][CH:17]=[CH:18][C:13]=2[O:12][C:11]1=[N:19][OH:20] | 1 |
[F:1][C:2]([F:20])([F:19])[C:3](=O)[CH2:4][C:5]([C:7]1[CH:17]=[CH:16][C:10]2[O:11][CH2:12][C:13](=[O:15])[NH:14][C:9]=2[CH:8]=1)=O.Cl.[F:22][C:23]1[CH:24]=[C:25]([NH:30][NH2:31])[CH:26]=[C:27]([F:29])[CH:28]=1>>[F:22][C:23]1[CH:24]=[C:25]([N:30]2[C:5]([C:7]3[CH:17]=[CH:16][C:10]4[O:11][CH2:12][C:13](=[O:15])[NH:14][C:9... | 2 |
Br[C:2]1[CH:3]=[N:4][N:5]2[C:10]([C:11]3[CH:12]=[C:13]([NH:17][C:18](=[O:23])[CH2:19][CH:20]([CH3:22])[CH3:21])[CH:14]=[CH:15][CH:16]=3)=[CH:9][CH:8]=[N:7][C:6]=12.[C:24]([C:27]1[CH:28]=[C:29](B(O)O)[CH:30]=[CH:31][CH:32]=1)(=[O:26])[CH3:25]>>[C:24]([C:27]1[CH:32]=[C:31]([C:2]2[CH:3]=[N:4][N:5]3[C:10]([C:11]4[CH:12]=[C... | 2 |
O([K])C#N.COC([C@@H](C(C)C)NCC1=CC=C(C=C1)Cl)=O>C(C)(=O)O>ClC1=CC=C(CN2C(NC(C2C(C)C)=O)=O)C=C1 | 3 |
FC(CCC(C#N)C#N)(F)F.Cl.BrC=1C=NN(C1)CCl>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>BrC=1C=NN(C1)CC(C#N)(C#N)CCC(F)(F)F | 3 |
[Cl:1][C:2]1[CH:3]=[C:4]2[C:12](=[CH:13][CH:14]=1)[NH:11][C:10]1[CH:9]([NH2:15])[CH2:8][CH2:7][CH2:6][C:5]2=1.[CH3:16][O:17][C:18]1[CH:23]=[C:22]([O:24][CH3:25])[N:21]=[C:20](S(C)(=O)=O)[N:19]=1>>[Cl:1][C:2]1[CH:3]=[C:4]2[C:12](=[CH:13][CH:14]=1)[NH:11][C:10]1[CH:9]([NH:15][C:20]3[N:21]=[C:22]([O:24][CH3:25])[CH:23]=[C... | 1 |
[H-].[Na+].[CH3:3][O:4][C:5]1[CH:10]=[CH:9][C:8]([N:11]2[C@@H:15]([CH3:16])[C@@H:14]([CH2:17][OH:18])[O:13][C:12]2=[O:19])=[CH:7][CH:6]=1.F[C:21]1[CH:28]=[CH:27][C:24]([C:25]#[N:26])=[CH:23][CH:22]=1>CN(C)C=O>[CH3:3][O:4][C:5]1[CH:6]=[CH:7][C:8]([N:11]2[C@@H:15]([CH3:16])[C@@H:14]([CH2:17][O:18][C:21]3[CH:28]=[CH:27][C... | 1 |
COCCl.BrC1=CC(=CC2=CC=CC=C12)O>N(C)(C)C=O.O.[H-].[Na+]>BrC=1C=C(C2=CC=CC=C2C1)OCOC | 3 |
C(C)(C)(C)OC(=O)N1CC(C1)CO.IC1=NNC2=NC=NC(=C21)N>C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.N(=NC(=O)OC(C)C)C(=O)OC(C)C>NC1=C2C(=NC=N1)N(N=C2I)CC2CN(C2)C(=O)OC(C)(C)C | 3 |
FC1=C(C=CC(=C1)C(F)(F)F)/C=C/C1CN(C1)C(=O)OC(C)(C)C>CO[H].[HH].C(C)(=O)OCC.[Pd]>FC1=C(C=CC(=C1)C(F)(F)F)CCC1CN(C1)C(=O)OC(C)(C)C | 3 |
[N+]([O-])(O)=[O:2].N.N.N.N.N.N.[OH2:11].O.O.O.O[Mo:16](O)(=O)=O.O[Mo](O)(=O)=O.O[Mo](O)(=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.[N+]([O-])([O-])=O.[Bi+3:50].[N+]([O-])([O-])=O.[N+]([O-])([O-])=O.N.N.N.N.N.N.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Mo:89].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[NH4+].[... | 1 |
[C:1]([C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][C:4]=1[C:9]1[CH:14]=[CH:13][C:12]([CH2:15][CH:16]([C:22](=O)[CH2:23][CH2:24][CH3:25])[C:17](OCC)=[O:18])=[CH:11][C:10]=1[O:27][CH3:28])#[N:2].Cl.[C:30](=[NH:33])([NH2:32])[CH3:31].C[O-].[Na+]>CO>[CH3:28][O:27][C:10]1[CH:11]=[C:12]([CH2:15][C:16]2[C:17](=[O:18])[NH:32][C:30]([CH3:3... | 1 |
NC1CCN(CC1)C(=O)OC(C)(C)C.ClC1=NC=C(C(=N1)Cl)[N+](=O)[O-]>C(C)(=O)OCC.C(C)(C)N(C(C)C)CC>ClC1=NC=C(C(=N1)NC1CCN(CC1)C(=O)OC(C)(C)C)[N+](=O)[O-] | 3 |
ClCC1OC1.NC1=CC=C(C=C1)C(=O)C1=CC=C(C=C1)Cl>C([O-])([O-])=O.[K+].[K+]>ClC1=CC=C(C(=O)C2=CC=C(C=C2)NCC2CO2)C=C1 | 3 |
[Cl:1][CH2:2][C:3]1[CH:4]=[C:5]([C:9](=O)[CH3:10])[CH:6]=[CH:7][CH:8]=1.[NH2:12][C:13]1[S:14]/[C:15](=[CH:19]\[C:20]2[CH:25]=[C:24]([O:26][CH3:27])[C:23]([OH:28])=[C:22]([Cl:29])[CH:21]=2)/[C:16](=[O:18])[N:17]=1>>[Cl:29][C:22]1[CH:21]=[C:20](/[CH:19]=[C:15]2/[C:16](=[O:18])[N:17]3[CH:10]=[C:9]([C:5]4[CH:6]=[CH:7][CH:8... | 2 |
ClC1=C(C(=C(C=N1)C(=O)C1C[C@@H](N(CC1)C(=O)OCC1=CC=CC=C1)C)NC(NC(C(Cl)(Cl)Cl)=O)=O)F>CO[H].N>ClC1=C(C=2NC(N=C(C2C=N1)C1C[C@@H](N(CC1)C(=O)OCC1=CC=CC=C1)C)=O)F | 3 |
[CH2:1]([C:5]1([CH2:28][CH2:29][CH2:30][CH3:31])[C:11](=[O:12])[N:10]([C:13]2[CH:18]=[CH:17][C:16]([N+:19]([O-:21])=[O:20])=[CH:15][CH:14]=2)[C:9]2[CH:22]=[CH:23][C:24]([O:26][CH3:27])=[CH:25][C:8]=2[S:7][CH2:6]1)[CH2:2][CH2:3][CH3:4].C(Cl)Cl.C([O-])([O-])=[O:36].[K+].[K+].ClC1C=C(C=CC=1)C(OO)=O.[OH2:52]>>[O:52]=[S:7]1... | 1 |
C(N(CC)CC)C.[F:8][C:9]([F:36])([C:14]1[CH:18]=[C:17]([NH:19][C:20](=[O:28])OC2C=CC=CC=2)[N:16]([C:29]2[CH:34]=[CH:33][C:32]([CH3:35])=[CH:31][CH:30]=2)[N:15]=1)[C:10]([F:13])([F:12])[F:11].[NH2:37][C:38]1[C:47]2[C:42](=[CH:43][CH:44]=[CH:45][CH:46]=2)[C:41]([O:48][C:49]2[CH:54]=[CH:53][N:52]=[C:51]([NH:55][C:56]3[CH:61... | 2 |
NC1=CC(=C(C(=O)Cl)C=C1[N+](=O)[O-])F>CCO[H]>NC1=CC(=C(C(=O)OCC)C=C1[N+](=O)[O-])F | 3 |
C(C1=CC=CC=C1)Br.C(C)C(CC)C1=NNC=C1CCC(=O)OCC>>C(C1=CC=CC=C1)N1N=C(C(=C1)CCCO)C(CC)CC | 5 |
NCC(O)C1=CC=C(C=C1)C1=NOC(=N1)C1=NC(=NC(=C1)C)NC(C)C>ClCCl.C(C)(C)N(C(C)C)CC.S(=O)(=O)(C)Cl>OC(CNS(=O)(=O)C)C1=CC=C(C=C1)C1=NOC(=N1)C1=NC(=NC(=C1)C)NC(C)C | 3 |
C1(C2C=CC(CNCCC3C=CC(F)=C(C(F)(F)F)C=3)=CC=2)CC1.[C:25]12([CH2:37][CH2:36]1)[C:33]1[C:28](=[CH:29][C:30]([CH:34]=O)=[CH:31][CH:32]=1)[CH2:27][CH2:26]2.[Cl:38][C:39]1[CH:40]=[C:41]([CH2:46][CH2:47][NH2:48])[CH:42]=[CH:43][C:44]=1[Cl:45].[BH4-].[Na+]>>[Cl:38][C:39]1[CH:40]=[C:41]([CH2:46][CH2:47][NH:48][CH2:34][C:30]2[CH... | 1 |
C(C1=CC=CC=C1)SCC=1OC=CC1>O(O[H])[H].N1=P(N=P(N=P(N=P1(Cl)Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl>C(C1=CC=CC=C1)S(=O)(=O)CC=1OC=CC1 | 3 |
C(C(=C)C)(=O)O.CC=1SC=CC1>ClCCl.CS(=O)(=O)O.O=P12OP3(=O)OP(=O)(O1)OP(=O)(O2)O3>CC1=CC2=C(S1)C(C(C2)C)=O | 3 |
ClC=1C=C(C=CC1C)NC(C)=O>BrBr.C(C)(=O)O>BrC1=C(C=C(C(=C1)C)Cl)NC(C)=O | 3 |
[OH:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[CH:13]=[CH:12][C:11]([C:14]([F:17])([F:16])[F:15])=[CH:10][CH:9]=2)=[CH:4][C:3]=1[C:18]1[CH:23]=[CH:22][N:21]=[C:20]([N:24]2[CH2:29][CH2:28][N:27]([C:30]([O:32][C:33]([CH3:36])([CH3:35])[CH3:34])=[O:31])[CH2:26][CH2:25]2)[CH:19]=1.C(=O)([O-])[O-].[K+].[K+].[Cl:43][C:44]1[C:45](F)=[... | 1 |
[CH2:1]([O:3][C:4]([C:6]1[C:7]([CH3:26])=[C:8]([C:19]([O:21][C:22]([CH3:25])([CH3:24])[CH3:23])=[O:20])[NH:9][C:10]=1[CH2:11][CH2:12][CH2:13]OS(C)(=O)=O)=[O:5])[CH3:2].[N:27]1([CH2:33][CH2:34][NH2:35])[CH2:32][CH2:31][CH2:30][CH2:29][CH2:28]1.C(OCC)(=O)C>CO>[CH2:1]([O:3][C:4]([C:6]1[C:7]([CH3:26])=[C:8]([C:19]([O:21][C... | 2 |
ClC1=CC=C(C=C1)C1=N[C@H](C=2N(C3=C1C=C(C=C3)OC)C(=NN2)C)CC(=O)NCC>ClCCl.B(Br)(Br)Br>ClC1=CC=C(C=C1)C1=N[C@H](C=2N(C3=C1C=C(C=C3)O)C(=NN2)C)CC(=O)NCC | 3 |
C[C@@H]1N(CC=2N(C1)N=CC2N2CNCC2=O)C(=O)OC(C)(C)C>>C[C@@H]1N(CC=2N(C1)N=CC2N2CN(CC2=O)S(=O)(=O)C)C(=O)OC(C)(C)C | 5 |
[N+:1]([C:4]1[CH:12]=[C:11]([N+:13]([O-:15])=[O:14])[C:10]([Cl:16])=[CH:9][C:5]=1[C:6](O)=[O:7])([O-:3])=[O:2].C[N:18](C=O)C.[OH-].[NH4+]>S(Cl)(Cl)=O.CC(C)=O>[N+:1]([C:4]1[CH:12]=[C:11]([N+:13]([O-:15])=[O:14])[C:10]([Cl:16])=[CH:9][C:5]=1[C:6]([NH2:18])=[O:7])([O-:3])=[O:2] | 1 |
[CH3:1][N:2]1[CH:6]=[CH:5][CH:4]=[C:3]1[C:7]1[CH:12]=[CH:11][C:10]([C:13]([F:16])([F:15])[F:14])=[CH:9][CH:8]=1.C([Li])(C)(C)C.I[C:23]1[CH:33]=[CH:32][C:26]([C:27]([O:29][CH2:30][CH3:31])=[O:28])=[CH:25][CH:24]=1.Cl>O1CCCC1.[Cl-].[Zn+2].[Cl-]>[CH3:1][N:2]1[C:3]([C:7]2[CH:12]=[CH:11][C:10]([C:13]([F:14])([F:15])[F:16])=... | 1 |
C1(CC1)S(=O)(=O)NCC1CC(C(C1)C(=O)OC(C)(C)C)CC>C(=O)(C(F)(F)F)O>C1(CC1)S(=O)(=O)NCC1CC(C(C1)C(=O)O)CC | 3 |
[Br-].[O:2]=[C:3]1[CH:7]([P+:8]([C:21]2[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=2)([C:15]2[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=2)[C:9]2[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=2)[CH2:6][CH2:5][O:4]1>O>[O:2]=[C:3]1[C:7](=[P:8]([C:21]2[CH:22]=[CH:23][CH:24]=[CH:25][CH:26]=2)([C:9]2[CH:10]=[CH:11][CH:12]=[CH:13][CH:14]=2)[C:15... | 1 |
BrC=1C=C(C(=O)OC)C=CN1.C(C)(C)(C)OC(=O)N1C=NC=2C1=NC(=CC2)N2CCN(CC2)C(=O)OC(C)(C)C>>C(C)(C)(C)OC(=O)N1CCN(CC1)C1=CC=C2C(=N1)NC(=N2)C(=O)C2=CC(=NC=C2)Br | 5 |
CS(=O)(=O)Cl.BrC1=C(C#N)C=C(C(=C1C#N)O)O>>CS(=O)(=O)OC1=C(C(=C(C(=C1)C#N)Br)C#N)OS(=O)(=O)C | 5 |
N1CCCC1.[H-].COCCO[Al+]OCCOC.[Na+].[H-].CC(C)([O-])C.[CH3:25][O:26][C:27]1[CH:28]=[C:29]([CH:34]=[CH:35][C:36]=1[N:37]1[CH:41]=[C:40]([CH3:42])[N:39]=[CH:38]1)[C:30](OC)=[O:31].[OH-].[Na+]>C1COCC1.C(OCC)(=O)C>[CH3:25][O:26][C:27]1[CH:28]=[C:29]([CH:34]=[CH:35][C:36]=1[N:37]1[CH:41]=[C:40]([CH3:42])[N:39]=[CH:38]1)[CH:3... | 1 |
[CH3:1][C:2]1[CH:3]=[N:4][C:5]2[CH:6]([C:12](=[S:14])[NH2:13])[CH2:7][CH2:8][CH2:9][C:10]=2[CH:11]=1.O.O.[C:17]([OH:22])(=[O:21])[C:18]([OH:20])=[O:19]>C(O)C>[C:17]([OH:22])(=[O:21])[C:18]([OH:20])=[O:19].[CH3:1][C:2]1[CH:3]=[N:4][C:5]2[CH:6]([C:12](=[S:14])[NH2:13])[CH2:7][CH2:8][CH2:9][C:10]=2[CH:11]=1 | 1 |
CI.C1(=CC=C(C=C1)CC(=O)O)C1=CC=CC=C1>C1CCCO1.C(C)(C)[N-]C(C)C.[Li+]>C1(=CC=C(C=C1)C(C(=O)O)C)C1=CC=CC=C1 | 3 |
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)N(CCCNC(CCNC(CCCCCNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])=O)=O)S(=O)(=O)C1=C(C=CC=C1)[N+](=O)[O-]>>CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)NCCCNC(CCNC(CCCCCNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])=O)=O | 5 |
Cl.[N+](=O)([O-])C1=CC=C(CN)C=C1.C1(CC1)S(=O)(=O)Cl>ClCCl.CCN(CC)CC>C1(CC1)S(=O)(=O)NCC1=CC=C(C=C1)[N+](=O)[O-] | 3 |
[CH:1]1([CH:6]2[CH2:11][C:10]([CH3:13])([CH3:12])[CH2:9][C:8]([CH3:15])([CH3:14])[CH2:7]2)[CH:5]=[CH:4][CH:3]=[CH:2]1.CO.[CH3:18][C:19]([CH3:21])=O.N1CCCC1>C(OCC)C.O.C(O)(=O)C>[CH3:14][C:8]1([CH3:15])[CH2:9][C:10]([CH3:13])([CH3:12])[CH2:11][CH:6]([C:1]2[CH:2]=[CH:3][C:4](=[C:19]([CH3:21])[CH3:18])[CH:5]=2)[CH2:7]1 | 1 |
[CH3:1][CH:2]([CH3:33])[C:3]([NH:5][C:6]1[CH:11]=[CH:10][CH:9]=[C:8]([CH:12]2[CH2:17][CH2:16][N:15]([CH2:18][CH2:19][CH2:20][CH2:21][C:22]([C:24]3[CH:29]=[CH:28][C:27]([N+:30]([O-:32])=[O:31])=[CH:26][CH:25]=3)=O)[CH2:14][CH2:13]2)[CH:7]=1)=[O:4].[CH3:34][N:35]([C:37]1[CH:42]=[CH:41][CH:40]=[CH:39][CH:38]=1)N>>[CH3:1][... | 1 |
C(CCC)[Sn](C1=NC=CC=C1)(CCCC)CCCC.CC1=NC2=CC=C(C=C2C(N1C1=CC=C(C=C1)OCCCN1CCCCC1)=O)Br>>CC1=NC2=CC=C(C=C2C(N1C1=CC=C(C=C1)OCCCN1CCCCC1)=O)C1=NC=CC=C1 | 5 |
C[Si](C#CC1=C(C=CC=C1)[N+](=O)[O-])(C)C>>C[Si](CCC1=C(C=CC=C1)N)(C)C | 5 |
CC(CC)N.ClC1N=CC=C(C1[N+](=O)[O-])C1=C(C=C(C=C1)OC(F)F)Cl>CC#N.C(C)(C)N(C(C)C)CC>C(C)(CC)NC1N=CC=C(C1[N+](=O)[O-])C1=C(C=C(C=C1)OC(F)F)Cl | 3 |
C([O:4][CH2:5][C:6]1[N:10]([CH2:11][CH2:12][CH2:13][C:14]([F:17])([F:16])[F:15])[C:9]2[CH:18]=[CH:19][C:20]([C:22]#[N:23])=[CH:21][C:8]=2[N:7]=1)(=O)C.C([O-])([O-])=O.[K+].[K+]>CO>[NH3:7].[OH:4][CH2:5][C:6]1[N:10]([CH2:11][CH2:12][CH2:13][C:14]([F:16])([F:15])[F:17])[C:9]2[CH:18]=[CH:19][C:20]([C:22]#[N:23])=[CH:21][C:... | 2 |
[Si](C)(C)(C(C)(C)C)OCC1C=C(CC1CO[Si](C)(C)C(C)(C)C)CO>c3c(P(c1ccccc1)c2ccccc2)cccc3.ClCCl.C(Br)(Br)(Br)Br>[Si](C)(C)(C(C)(C)C)OCC1C=C(CC1CO[Si](C)(C)C(C)(C)C)CBr | 3 |
[F:1][C:2]([F:17])([F:16])[O:3][C:4]1[CH:15]=[CH:14][C:7]([CH:8]=[C:9]([C:12]#[N:13])[C:10]#[N:11])=[CH:6][CH:5]=1.[CH3:18][Mg]Br>O1CCCC1.[Cu]I>[F:1][C:2]([F:16])([F:17])[O:3][C:4]1[CH:5]=[CH:6][C:7]([CH:8]([CH:9]([C:12]#[N:13])[C:10]#[N:11])[CH3:18])=[CH:14][CH:15]=1 | 1 |
C(C)I.BrC=1C=CC=2C(N3C(=NC2C1)CCNCC3)=O>C([O-])([O-])=O.[K+].[K+].CC(=O)C>BrC=1C=CC=2C(N3C(=NC2C1)CCN(CC3)CC)=O | 3 |
C([Li])CCC.[CH3:6][Si:7]([CH3:14])([CH3:13])[C:8]1[S:12][CH:11]=[N:10][CH:9]=1.[CH:15](N1CCOCC1)=[O:16].Cl>C1COCC1>[CH3:6][Si:7]([CH3:14])([CH3:13])[C:8]1[S:12][C:11]([CH:15]=[O:16])=[N:10][CH:9]=1 | 1 |
[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][CH:11]([C:14]([OH:16])=O)[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[CH3:17][N:18](C(ON1N=NC2C=CC=CC1=2)=[N+](C)C)C.[B-](F)(F)(F)F.C(N(CC)CC)C.CN>C1COCC1.O>[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][CH:11]([C:14](=[O:16])[NH:18][CH3:17])[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:... | 2 |
[C:1]([NH:4][C:5]1[N:10]=[CH:9][C:8](/[CH:11]=[CH:12]/[C:13]([OH:15])=[O:14])=[CH:7][CH:6]=1)(=[O:3])[CH3:2].[CH3:16][Si](C=[N+]=[N-])(C)C>ClCCl.CO>[C:1]([NH:4][C:5]1[N:10]=[CH:9][C:8](/[CH:11]=[CH:12]/[C:13]([O:15][CH3:16])=[O:14])=[CH:7][CH:6]=1)(=[O:3])[CH3:2] | 1 |
N(=[N+]=[N-])CCOCCOCCOCCOCCOCCN=[N+]=[N-]>C(C)OCC.c3c(P(c1ccccc1)c2ccccc2)cccc3.Cl>N(=[N+]=[N-])CCOCCOCCOCCOCCOCCN | 3 |
S1C(=NC2=C1C=CC=C2)CC(C(=O)OC)NC(=O)OC(C)(C)C>>S1C(=NC2=C1C=CC=C2)CC(C(=O)O)NC(=O)OC(C)(C)C | 5 |
[C:1]([O:5][C:6](=[O:36])[NH:7][C:8]1([C:12]2[CH:17]=[CH:16][C:15]([C:18]3[C:27](=[O:28])[C:26]4[C:21](=[CH:22][CH:23]=[C:24](F)[CH:25]=4)[O:20][C:19]=3[C:30]3[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=3)=[CH:14][CH:13]=2)[CH2:11][CH2:10][CH2:9]1)([CH3:4])([CH3:3])[CH3:2].IC1C(=O)C2C(=CC=C(OC)C=2)[O:40][C:39]=1C1C=CC=CC=1>>... | 1 |
C(C1=CC=CC=C1)N1CCC=2C(=C(C(=NC2C1)N1CC2(CN(C2)C(=O)OC(C)(C)C)CC1)C)Cl.CC1(OB(OC1(C)C)C1=C2C=CC(=CC2=CC=C1)O)C>O.O1CCOCC1.P(=O)([O-])([O-])[O-].[K+].[K+].[K+].CC(C)C1=CC(=C(C(=C1)C(C)C)C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C)C.CS(=O)(=O)[O-].C1=CC=C(C=C1)C2=CC=CC=C2N.[Pd]>C(C1=CC=CC=C1)N1CCC=2C(=C(C(=NC2C1)N1CC2(CN(C2)C(=O)... | 3 |
[C:1]([CH:6]1[CH2:11][C:10](O)([C:12]([O:14][CH3:15])=[O:13])[CH:9]=[CH:8][C:7]1=[O:17])(=[O:5])[CH2:2][CH2:3][CH3:4].B(F)(F)F>C1C=CC=CC=1>[C:1]([C:6]1[CH:11]=[C:10]([CH:9]=[CH:8][C:7]=1[OH:17])[C:12]([O:14][CH3:15])=[O:13])(=[O:5])[CH2:2][CH2:3][CH3:4] | 1 |
[CH2:1]([O:8][C:9]1[C:10]([C:17]([OH:19])=O)=[N:11][CH:12]=[CH:13][C:14]=1[O:15][CH3:16])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C(N1C=CN=C1)(N1C=CN=C1)=O.CN(C=O)C.[O:37]([C:44]1[CH:50]=[CH:49][C:47]([NH2:48])=[CH:46][CH:45]=1)[C:38]1[CH:43]=[CH:42][CH:41]=[CH:40][CH:39]=1>O>[CH2:1]([O:8][C:9]1[C:10]([C:17]([NH:48][C:... | 1 |
Br[C:2]1[CH:7]=[C:6]([F:8])[C:5]([OH:9])=[C:4]([F:10])[CH:3]=1.C(N(CC)CC)C.[C:18]1([C:23]([O:25][CH3:26])=[O:24])[CH2:22][CH2:21][CH2:20][CH:19]=1.CC1C(P(C2C(C)=CC=CC=2)C2C(C)=CC=CC=2)=CC=CC=1>C([O-])(=O)C.[Pd+2].C([O-])(=O)C.CCOC(C)=O>[F:10][C:4]1[CH:3]=[C:2]([C:19]2[CH2:20][CH2:21][CH2:22][C:18]=2[C:23]([O:25][CH3:26... | 2 |
[CH:1]1[N:2]=[C:3]([NH2:44])[C:4]2[N:9]=[CH:8][N:7]([C@@H:10]3[O:14][C@H:13]([CH2:15][O:16][P:17]([O:20][P:21]([O:24][CH2:25][C@H:26]4[O:30][C@@H:29]([N:31]5[CH:36]=[C:35]([C:37]([NH2:39])=[O:38])[CH2:34][CH:33]=[CH:32]5)[C@H:28]([OH:40])[C@@H:27]4[OH:41])([OH:23])=[O:22])([OH:19])=[O:18])[C@@H:12]([OH:42])[C@H:11]3[OH... | 1 |
[O:1]1[C:5]2[CH:6]=[CH:7][CH:8]=[CH:9][C:4]=2[N:3]=[C:2]1[C:10]1[CH:15]=[CH:14][C:13]([CH:16]([CH3:19])[C:17]#[N:18])=[C:12]([O:20][CH3:21])[CH:11]=1.O1C2C=CC=CC=2N=[C:23]1[C:31]1C=CC(C#N)=C(OC)C=1.ICCC>>[O:1]1[C:5]2[CH:6]=[CH:7][CH:8]=[CH:9][C:4]=2[N:3]=[C:2]1[C:10]1[CH:15]=[CH:14][C:13]([CH:16]([CH2:19][CH2:23][CH3:3... | 1 |
[Cl:1][C:2]1[CH:3]=[C:4]([C:9]2[CH:14]=[C:13]([C:15]([F:18])([F:17])[F:16])[N:12]3[N:19]=[CH:20][C:21]([C:22]#[CH:23])=[C:11]3[N:10]=2)[CH:5]=[CH:6][C:7]=1[Cl:8].[OH:24][CH2:25][C:26]([NH:29][S:30]([C:33]1[S:37][C:36](Cl)=[N:35][CH:34]=1)(=[O:32])=[O:31])([CH3:28])[CH3:27]>>[OH:24][CH2:25][C:26]([NH:29][S:30]([C:33]1[S... | 1 |
FC1=C(C=CC(=C1C=O)F)NS(=O)(=O)C(C)C.N1=CC(=CC=C1)C=1C=C2C(=NC1)NC=C2>>FC1=C(C=CC(=C1C(C1=CNC2=NC=C(C=C21)C=2C=NC=CC2)OC)F)NS(=O)(=O)C(C)C | 5 |
[CH3:1][C:2]1[CH:7]=[C:6]([CH3:8])[N:5]=[C:4]([N:9]2[CH2:16][CH:15]3[CH:11]([CH2:12][NH:13][CH2:14]3)[CH2:10]2)[N:3]=1.[N:17]1[C:26]2[C:21](=[CH:22][CH:23]=[CH:24][C:25]=2[C:27](O)=[O:28])[CH:20]=[CH:19][CH:18]=1.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>C(OCC)(=O)C.CN(C=O)C>[CH3:1][C:2]1[C... | 1 |
C(C)(C)(C)[Si](C)(C)Cl.FC(C1=NN2C(C(=CC=C2)CO)=C1)(F)F>N(C)(C)C=O.c1cnc[nH]1>[Si](C)(C)(C(C)(C)C)OCC=1C=2N(C=CC1)N=C(C2)C(F)(F)F | 3 |
Cl.CN.FC1=NC=CC=C1C=1C=C(SC1S(=O)(=O)N1C=CC=C1)C=O>CO[H].C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>C(\C=C\C(=O)O)(=O)O.FC1=NC=CC=C1C=1C=C(SC1S(=O)(=O)N1C=CC=C1)CNC | 3 |
[CH3:1][C:2]1[S:3][C:4]2[CH:10]=[CH:9][C:8]([CH2:11][OH:12])=[CH:7][C:5]=2[N:6]=1>C1COCC1.O=[Mn]=O>[CH3:1][C:2]1[S:3][C:4]2[CH:10]=[CH:9][C:8]([CH:11]=[O:12])=[CH:7][C:5]=2[N:6]=1 | 1 |
FC1=CC=C(C=C1)I.ClC1=CC=C(C=C1)N1C(=NC=C1)C>N(C)(C)C=O.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.CC1=C(C=CC=C1)P(C1=C(C=CC=C1)C)C1=C(C=CC=C1)C.[F-].[Cs+]>ClC1=CC=C(C=C1)N1C(=NC=C1C1=CC=C(C=C1)F)C | 3 |
[OH:1][N:2]1C(=O)C2=CC=CC=C2C1=O.Cl.[Cl:14][CH2:15][C:16]1[N:17]=[C:18]([C:21]2[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=2)[S:19][CH:20]=1>>[ClH:14].[C:21]1([C:18]2[S:19][CH:20]=[C:16]([CH2:15][O:1][NH2:2])[N:17]=2)[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1 | 1 |
[CH3:1][O:2][C:3]([C:5]1[C:9]([CH3:10])=[C:8]([C:11]2[CH:16]=[CH:15][CH:14]=[CH:13][C:12]=2[C:17]([F:20])([F:19])[F:18])[NH:7][CH:6]=1)=[O:4].[CH3:21][Si]([N-][Si](C)(C)C)(C)C.[Li+].IC>C1COCC1>[CH3:1][O:2][C:3]([C:5]1[C:9]([CH3:10])=[C:8]([C:11]2[CH:16]=[CH:15][CH:14]=[CH:13][C:12]=2[C:17]([F:20])([F:19])[F:18])[N:7]([... | 1 |
C(C)(C)(C)OC(=O)N1C[C@H](CC1)O>>C(C)(C)(C)OC(=O)N1C[C@H](CC1)OS(=O)(=O)C1=CC=C(C=C1)C | 5 |
FC(CN=C=S)(F)F>CCO[H].NN>FC(CNC(=S)NN)(F)F | 3 |
[OH:1][CH2:2][C@@H:3]1[CH2:12][CH2:11][C:10]2[CH:9]=[C:8]([C@H:13]3[CH2:22][CH2:21][C@@:15]4([NH:19][C:18](=[O:20])[O:17][CH2:16]4)[CH2:14]3)[CH:7]=[CH:6][C:5]=2[CH2:4]1.[C:23]1([CH3:33])[CH:28]=[CH:27][C:26]([S:29](Cl)(=[O:31])=[O:30])=[CH:25][CH:24]=1>N1C=CC=CC=1>[CH3:33][C:23]1[CH:28]=[CH:27][C:26]([S:29]([O:1][CH2:... | 2 |
[F:1][C:2]([F:30])([F:29])[C:3]1[CH:4]=[C:5]([C:9]2[CH:10]=[C:11]([CH:15]=[C:16]([C:19]3[CH:24]=[CH:23][CH:22]=[C:21]([C:25]([F:28])([F:27])[F:26])[CH:20]=3)[C:17]=2[OH:18])[C:12](O)=[O:13])[CH:6]=[CH:7][CH:8]=1.[CH2:31]([O:38][C:39]1[CH:53]=[CH:52][C:42]([CH2:43][O:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH2:50][N... | 1 |
COC(=O)C=1C=C(CC=2C=C3C=CN(C3=CC2)C(=O)OC(C)(C)C)C=CC1>O.C1CCCO1.CO[H].O[Li].O>N1C=CC2=CC(=CC=C12)CC=1C=C(C(=O)O)C=CC1 | 3 |
[NH2:1][CH2:2][C:3]1[N:11]=[C:10]2[C:6]([N:7]=[CH:8][N:9]2[C@H:12]2[C@H:16]([OH:17])[C@H:15]([OH:18])[C@@H:14]([CH2:19][OH:20])[O:13]2)=[C:5]([NH:21][CH2:22][CH:23]2[C:35]3[CH:34]=[CH:33][CH:32]=[CH:31][C:30]=3[C:29]3[C:24]2=[CH:25][CH:26]=[CH:27][CH:28]=3)[N:4]=1.[CH:36]([N:39]([CH:50]([CH3:52])[CH3:51])[CH2:40][CH2:4... | 1 |
C(Cl)Cl.[NH2:4][C:5]1[CH:10]=[CH:9][CH:8]=[CH:7][N:6]=1.C(N(CC)CC)C.[C:18](Cl)(=[O:23])[C:19]([CH3:22])([CH3:21])[CH3:20]>O>[CH3:20][C:19]([CH3:22])([CH3:21])[C:18]([NH:4][C:5]1[CH:10]=[CH:9][CH:8]=[CH:7][N:6]=1)=[O:23] | 1 |
[CH3:1][C:2](=[CH:4][CH2:5][CH2:6]/[C:7](=[CH:9]/[CH2:10][OH:11])/[CH3:8])[CH3:3].[CH2:12]([O:15]CC=C(C)CCC=C(C)C)[CH:13]=C>>[C:12]([O:11][CH2:10]/[CH:9]=[C:7](/[CH2:6][CH2:5][CH:4]=[C:2]([CH3:1])[CH3:3])\[CH3:8])(=[O:15])[CH3:13] | 1 |
C(C=CC)Br.COC(CNC(OCC)=O)OC>C1(=CC=CC=C1)C.O.[H-].[Na+]>C(C=CC)N(C(OCC)=O)CC(OC)OC | 3 |
[B-]C#N.[Na+].CN1C(N(C2=NC(=NC=C12)NC=1C=C2C=CC=NC2=CC1C)C1CCNCC1)=O>CO[H].C=O>CN1C(N(C2=NC(=NC=C12)NC=1C=C2C=CC=NC2=CC1C)C1CCN(CC1)C)=O | 3 |
BrCC(=O)OCC.BrC1=C(C=C(C=C1)Br)O>C([O-])([O-])=O.[K+].[K+].CC(=O)C>C(C)OC(COC1=C(C=CC(=C1)Br)Br)=O | 3 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.ClC1=NC=2N(C(=C1)NCC1=CC=C(C=C1)C1=NC=CC=C1C)N=CC2C(C)C>C1CCCO1.C1(=CC=NC=C1)N(C)C>ClC1=NC=2N(C(=C1)N(C(OC(C)(C)C)=O)CC1=CC=C(C=C1)C1=NC=CC=C1C)N=CC2C(C)C | 3 |
[CH2:1]([CH:4]1[C:9](=[O:10])[CH2:8][CH2:7][CH2:6][C:5]1=[O:11])[CH2:2][CH3:3].N1C=CC=CC=1.[CH3:18][O:19][C:20]1[CH:21]=[C:22]([CH2:26][CH2:27][CH2:28][C:29](=[O:32])[CH:30]=[CH2:31])[CH:23]=[CH:24][CH:25]=1>C1C=CC=CC=1>[CH3:18][O:19][C:20]1[CH:21]=[C:22]([CH2:26][CH2:27][CH2:28][C:29](=[O:32])[CH2:30][CH2:31][C:4]2([C... | 1 |
C(C)C1=CC=C(S1)C=O.N[C@@H]1CN(CC1)C1=NC=CC=C1C(=O)OC(C)C>>C(C)C1=CC=C(S1)CN[C@@H]1CN(CC1)C1=NC=CC=C1C(=O)OC(C)C | 5 |
N1C=C(C=C1)C(=O)OC.BrC1COC1>N(C)(C)C=O.O.C(=O)([O-])[O-].[Cs+].[Cs+]>F[C@H]1CN(CC[C@H]1NC1=C2C=C(N(C2=CC=C1)CC(F)(F)F)C1=NOC(=N1)CNC(=O)C1=CN(C=C1)C1COC1)C | 4 |
[Si](C)(C)(C(C)(C)C)OCCOC1=CC(=CC=C1)[N+](=O)[O-]>CCO[H].[HH].[Pd]>[Si](C)(C)(C(C)(C)C)OCCOC=1C=C(N)C=CC1 | 3 |
[S:1]([O-:4])([O-:3])=[O:2].[Na+].[Na+].C[O:8][C:9](=[O:26])[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24]Br.[OH-].[Na+].S(=O)(=O)(O)O.S(=O)=O>O.C(O)CC.O1CCCC1.CO>[S:1]([CH2:24][CH2:23][CH2:22][CH2:21][CH2:20][CH2:19][CH2:18][CH2:17][CH2:16][CH2:... | 1 |
C(C)(C)(C)S(=O)(=O)N1C2(CCC2)CC(C1)N1C2=C(OCC1)C=C(C=C2)C(F)(F)F>N(C)(C)C=O.BrN1C(CCC1=O)=O>BrC1=CC(=CC=2OCCN(C21)C2CN(C1(CCC1)C2)S(=O)(=O)C(C)(C)C)C(F)(F)F | 3 |
Br[C:2]1[CH:3]=[C:4]2[C:8]3=[C:9]([CH2:11][CH2:12][N:7]3[C@H:6]3[CH2:13][CH2:14][N:15]([C:17]([O:19][C:20]([CH3:23])([CH3:22])[CH3:21])=[O:18])[CH2:16][C@@H:5]23)[CH:10]=1.[F:24][C:25]([F:36])([F:35])[C:26]1[CH:31]=[CH:30][CH:29]=[CH:28][C:27]=1B(O)O>>[F:24][C:25]([F:36])([F:35])[C:26]1[CH:31]=[CH:30][CH:29]=[CH:28][C:... | 1 |
[F-:1].[Cs+].F.[K].[Cl:5][C:6]1[CH:11]=[CH:10][C:9]([C:12]([CH3:18])([CH3:17])[C:13]#[C:14][C:15]#[N:16])=[CH:8][CH:7]=1.C(OCC)(=O)C.CCCCCC>CN(C)C=O.O>[Cl:5][C:6]1[CH:7]=[CH:8][C:9]([C:12]([CH3:18])([CH3:17])[C:13]([F:1])=[CH:14][C:15]#[N:16])=[CH:10][CH:11]=1 | 1 |
BrC1=CC(=CC=2C3C(N(C12)C(C)C)C(C(C3)O)O)C(=O)OC>O.C1CCCO1.I(=O)(=O)(=O)[O-].[Na+]>BrC=1C=C(C=C2C(C(N(C12)C(C)C)C=O)CC=O)C(=O)OC | 3 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.C(#N)C(COC1=CC2=C(N(C(=N2)SCCCNC(OC(C)(C)C)=O)COCC[Si](C)(C)C)C=C1)O>O.CO[H].Cl.[OH-].[Na+].O1CCOCC1>C(C)(C)(C)OC(=O)NCCCSC1=NC2=C(N1)C=CC(=C2)OCC(C(=O)O)O | 3 |
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