smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
FC1=C2CCN(C2=CC=C1)C(CC1=NC(=CC(N1)=O)Cl)=O>CC1CNCCO1>FC1=C2CCN(C2=CC=C1)C(CC1=NC(=CC(N1)=O)N1CC(OCC1)C)=O | 3 |
[Cl:1][C:2]1[C:7]2[C:8](=[O:20])[N:9]([CH3:19])[CH2:10][C:11]3[N:12]([CH:13]=[N:14][C:15]=3[C:16](O)=[O:17])[C:6]=2[CH:5]=[CH:4][C:3]=1[F:21].C(N1C=CN=C1)([N:24]1C=CN=C1)=O.C(=O)=O.N>CN(C)C=O>[Cl:1][C:2]1[C:7]2[C:8](=[O:20])[N:9]([CH3:19])[CH2:10][C:11]3[N:12]([CH:13]=[N:14][C:15]=3[C:16]([NH2:24])=[O:17])[C:6]=2[CH:5]... | 1 |
OC1=NC=CC=C1.COC(C1=C(C=C(C(=C1)F)C(F)(F)F)[N+](=O)[O-])=O>>COC(C1=C(C=C(C(=C1)N1C(C=CC=C1)=O)C(F)(F)F)[N+](=O)[O-])=O | 5 |
CI.[N+](=O)([O-])C=1C=CC2=C(NC(CO2)=O)C1>N(C)(C)C=O.[H-].[Na+]>CN1C(COC2=C1C=C(C=C2)[N+](=O)[O-])=O | 3 |
C(=O)(OC(C)(C)C)N(CC1=NC=CC=C1)CC1=CC=C(C(=O)OC)C=C1>C1CCCO1.CO[H].[OH-].[Na+]>C(=O)(OC(C)(C)C)N(CC1=NC=CC=C1)CC1=CC=C(C(=O)O)C=C1 | 3 |
BrCC1=CC=C(C=C1)CC(=O)O>C1CCCO1.CSC.B>BrCC1=CC=C(C=C1)CCO | 3 |
C(C)OC(CC1=CC=C(C=C1)N)=O>>NC1=C(C=C(C=C1)CC(=O)OCC)Cl | 5 |
Br[C:2]1[CH:39]=[CH:38][C:5]([CH2:6][N:7]2[C:11]3[CH:12]=[CH:13][C:14]([O:16][CH2:17][C:18]4[CH:27]=[CH:26][C:25]5[C:20](=[CH:21][CH:22]=[CH:23][CH:24]=5)[N:19]=4)=[CH:15][C:10]=3[N:9]=[C:8]2[C@@H:28]2[C@H:30]([C:31]([O:33]CC)=[O:32])[C:29]2([CH3:37])[CH3:36])=[CH:4][CH:3]=1.[F:40][C:41]1[CH:42]=[C:43](B(O)O)[CH:44]=[C... | 1 |
[CH3:1][Mg]Br.[CH3:4][O:5][C:6]([C:8]1[CH:12]=[C:11]([CH:13]=[O:14])[O:10][C:9]=1[CH3:15])=[O:7]>C1COCC1>[CH3:4][O:5][C:6]([C:8]1[CH:12]=[C:11]([CH:13]([OH:14])[CH3:1])[O:10][C:9]=1[CH3:15])=[O:7] | 1 |
[H-].[Na+].C(=N/[OH:11])\C1C=CC=CC=1.[CH2:12]([N:19]1[CH2:24][CH2:23][C:22]([C:30]2[CH:35]=[CH:34][C:33]([Cl:36])=[CH:32][C:31]=2[C:37]#[C:38][C:39](OCC)=[O:40])([C:25](OCC)=[O:26])[CH2:21][CH2:20]1)[C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1.Cl.[C:45]([O:49][C:50](=[O:53])[CH2:51][NH2:52])([CH3:48])([CH3:47])[CH3:4... | 1 |
[NH:1]1[CH2:6][CH2:5][CH:4]([CH2:7][OH:8])[CH2:3][CH2:2]1.C(N(CC)CC)C.[CH3:16][N:17]([CH3:21])[C:18](Cl)=[O:19].O>ClCCl>[CH3:16][N:17]([CH3:21])[C:18]([N:1]1[CH2:6][CH2:5][CH:4]([CH2:7][OH:8])[CH2:3][CH2:2]1)=[O:19] | 2 |
[Cl:1][C:2]1[CH:11]=[C:10]([C:12]([NH:14][CH2:15][C:16]2[CH:21]=[CH:20][CH:19]=[C:18]([O:22]C)[CH:17]=2)=[O:13])[CH:9]=[C:8]([Cl:24])[C:3]=1[C:4]([O:6]C)=[O:5].C(=O)=O.CC(C)=O.B(Br)(Br)Br>ClCCl>[Cl:1][C:2]1[CH:11]=[C:10]([C:12]([NH:14][CH2:15][C:16]2[CH:21]=[CH:20][CH:19]=[C:18]([OH:22])[CH:17]=2)=[O:13])[CH:9]=[C:8]([... | 1 |
C(C)(C)(C)OC(=O)NCC(=O)N[C@@H](C(=O)NC1=C(C=CC=C1)/C=C/CCCC(=O)OCC(Cl)(Cl)Cl)C>ClCCl.C(=O)(C(F)(F)F)O>C[C@H]1NC(CNC(CCC/C=C/C2=C(NC1=O)C=CC=C2)=O)=O | 3 |
C(#N)C1=CC=C(C=O)C=C1.NCCC1=CNC2=CC=CC=C12>CO[H].[Na+].[BH4-]>N1C=C(C2=CC=CC=C12)CCNCC1=CC=C(C#N)C=C1 | 3 |
Cl.N1(CCCCC1)CCC1CC2=CC=C(C=C2CC1)OCC1=CC=C(C(=O)OC)C=C1>CO[H].[OH-].[Na+]>N1(CCCCC1)CCC1CC2=CC=C(C=C2CC1)OCC1=CC=C(C(=O)O)C=C1 | 3 |
NC1=C(C=C(C#N)C=C1)Cl>C(C)OCC.N(=O)OC(C)(C)C.CCCCC.B(F)(F)F.CCOCC>F[B-](F)(F)F.ClC1=C(C=CC(=C1)C#N)[N+]#N | 3 |
BrC1=CC=C(C(C)N)C=C1.CN(C1=NC(=NC=C1C)N[C@H]1CC[C@H](CC1)C(=O)O)C>>BrC1=CC=C(C=C1)C(C)NC(=O)[C@@H]1CC[C@@H](CC1)NC1=NC=C(C(=N1)N(C)C)C | 5 |
N1=CC(=CC=C1)B(O)O.BrC=1C=CC2=C(C=3N(CCO2)C=C(N3)I)C1>>BrC=1C=CC2=C(C3=NC(=CN3CCO2)C=2C=NC=CC2)C1 | 5 |
C(C)(C)(C)OC(=O)N1CCC(CC1)NC(=O)N[C@@H](CO[Si](C1=CC=CC=C1)(C1=CC=CC=C1)C(C)(C)C)C(=O)O>>[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)OCC(CO)NC(=O)NC1CCN(CC1)C(=O)OC(C)(C)C | 5 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.ClC1=CC(=C(C=C1Cl)C1C(CNC1)C(=O)OC)O>>ClC1=CC(=C(C=C1Cl)C1C(CN(C1)C(=O)OC(C)(C)C)C(=O)OC)O | 5 |
O=C1NC(CCC1C1=NN(C2=C(C=CC=C12)N1CCN(CC1)CC1(CCN(CC1)C(=O)OC(C)(C)C)F)C)=O>ClCCl.Cl.O1CCOCC1>FC1(CCNCC1)CN1CCN(CC1)C=1C=CC=C2C(=NN(C12)C)C1C(NC(CC1)=O)=O | 3 |
[F:1][C:2]1[CH:11]=[C:10]([F:12])[CH:9]=[C:8]2[C:3]=1[C:4]([N:20]1[C:28]3[C:23](=[N:24][CH:25]=[C:26]([N:29]4[CH2:34][CH2:33][O:32][CH2:31][CH2:30]4)[CH:27]=3)[C:22]3([CH2:39][CH2:38][O:37][CH2:36][CH2:35]3)[CH2:21]1)=[C:5]([CH3:19])[C:6]([N:13]1[CH2:18][CH2:17][NH:16][CH2:15][CH2:14]1)=[N:7]2.[CH3:40][N:41]=[C:42]=[O:... | 1 |
C[Si](C)(C)C=[N+]=[N-].C(CCCCC)N1CC(C(CC1)(C1=CC(=CC=C1)C#N)C)C>>C(CCCCC)N1CC(C(CC1)(C1=CC(=CC=C1)C=1N=NNC1[Si](C)(C)C)C)C | 5 |
C(C1C=CC=CC=1)(=O)C1C=CC=CC=1.[C:15]1([C:21]([C:28]2[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=2)=[CH:22][CH2:23][CH2:24][CH2:25][CH2:26][CH3:27])[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1>>[C:15]1([C:21]([C:28]2[CH:29]=[CH:30][CH:31]=[CH:32][CH:33]=2)=[CH:22][CH2:23][CH2:24][CH2:25][CH:26]=[CH2:27])[CH:20]=[CH:19][CH:18]=[CH:... | 1 |
C(C)(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC=1C=C2C(=C(NC2=CC1)C(=O)O)C1=CC(=CC=C1)C(F)(F)F>>CN(CCNC(=O)C=1NC2=CC=C(C=C2C1C1=CC(=CC=C1)C(F)(F)F)NS(=O)(=O)C1=CC=C(C=C1)C(C)(C)C)C | 5 |
[CH2:1]([O:8][C:9]1[CH:14]=[CH:13][C:12]([C@@H:15]([O:18][Si:19]([C:22]([CH3:25])([CH3:24])[CH3:23])([CH3:21])[CH3:20])[CH2:16]Br)=[CH:11][C:10]=1[NH:26][CH:27]=[O:28])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.Cl.Cl.[NH2:31][CH2:32][CH2:33][C:34]1[CH:72]=[CH:71][C:37]([O:38][CH2:39][CH2:40][C:41]2[CH:42]=[CH:43][C:44]([... | 1 |
C(#C)C=1C(=NC=CC1)N.C(C1=CC=CC=C1)C1=CC=C(C=N1)CC(=NO)Cl>C1CCCO1.CCN(CC)CC>C(C1=CC=CC=C1)C1=CC=C(C=N1)CC1=NOC(=C1)C=1C(=NC=CC1)N | 3 |
C(C)(C)O.IC=1C=NC=CC1>>C(C)(C)OC=1C=NC=CC1 | 5 |
C[Si](C)(C)C=[N+]=[N-].C(C)(C)(C)OC(=O)N1CCC(CC1)(C(=O)OC)CCCC(=O)O>>C(C)(C)(C)OC(=O)N1CCC(CC1)(C(=O)OC)CCCC(=O)OC | 3 |
ClC1=C(C=CC(=C1Cl)OC)C(O)C1=NC=CC=C1>O.C(C)(=O)O.[O-2].[O-2].[O-2].[Cr+6]>ClC1=C(C=CC(=C1Cl)OC)C(=O)C1=NC=CC=C1 | 3 |
C(C=C)(=O)N.C(C1=CC=CC=C1)=N[C@H](C(=O)OC)CCCCNC(=O)OCC1=CC=CC=C1>>C(C1=CC=CC=C1)=NC1(C(NC(CC1)=O)=O)CCCCNC(OCC1=CC=CC=C1)=O | 5 |
[CH2:1]([O:8][C:9]([NH:11][C@H:12]([C:20]([NH:22][C@H:23]1[C@H:26]([O:27][C:28](=O)[CH3:29])[NH:25][C:24]1=[O:31])=[O:21])[CH2:13][C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1)=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[Br:32]CCO.O>C1C=CC=CC=1.C1(C)C=CC=CC=1.O.O.C([O-])(=O)C.[Zn+2].C([O-])(=O)C>[CH2:1]([O:8][C:9... | 1 |
[CH3:1][N:2]1[N:6]=[C:5]([CH:7]2[CH2:12][CH2:11][N:10]([C:13]3[CH:18]=[CH:17][C:16](/[N:19]=[CH:20]/[C:21]4[O:22][C:23]([N+:26]([O-:28])=[O:27])=[CH:24][CH:25]=4)=[CH:15][CH:14]=3)[CH2:9][CH2:8]2)[O:4][C:3]1=[O:29].C([BH3-])#N.[Na+].C(=O)(O)[O-].[Na+]>CC(O)=O.CO>[CH3:1][N:2]1[N:6]=[C:5]([CH:7]2[CH2:8][CH2:9][N:10]([C:1... | 1 |
Cl.C(C1=CC=CC=C1)ON.C(C)(=O)C1C(=NN(C1=O)C)OCC>>C(C1=CC=CC=C1)ON=C(C)C=1C(=NN(C1O)C)OCC | 5 |
F[C:2]1[N:7]2[CH:8]=[C:9]([CH2:11][N:12]3[C@H:25]4[C@H:16]([CH2:17][CH2:18][C:19]5[C:24]4=[N:23][CH:22]=[CH:21][CH:20]=5)[CH2:15][CH2:14][CH2:13]3)[N:10]=[C:6]2[CH:5]=[CH:4][CH:3]=1.[N:26]1[CH:31]=[CH:30][CH:29]=[CH:28][C:27]=1[N:32]1[CH2:37][CH2:36][NH:35][CH2:34][CH2:33]1>CS(C)=O>[N:26]1[CH:31]=[CH:30][CH:29]=[CH:28]... | 2 |
C(C1=CC=CC=C1)OC(=O)N1CC(CC1)CO>O.ClCCl.CCN(CC)CC.C1(=CC=C(C=C1)S(=O)(=O)Cl)C>C(C1=CC=CC=C1)OC(=O)N1CC(CC1)COS(=O)(=O)C1=CC=C(C=C1)C | 3 |
CI.[N+](=O)([O-])C1=CC=C2C=NNC2=C1>C1CCCO1.[H-].[Na+]>CN1N=CC2=CC=C(C=C12)[N+](=O)[O-] | 3 |
[F:1][C:2]1[CH:8]=[CH:7][CH:6]=[CH:5][C:3]=1[NH2:4].[F:9][C:10]([F:20])([F:19])[C:11](=O)[CH2:12][C:13](OCC)=[O:14].Cl>C1C=CC=CC=1>[F:1][C:2]1[CH:8]=[CH:7][CH:6]=[C:5]2[C:3]=1[N:4]=[C:11]([C:10]([F:20])([F:19])[F:9])[CH:12]=[C:13]2[OH:14] | 1 |
CN(CCCCN)C.CN(CCCNC(=O)C=1C=C(C=CC1)C1=CC=C(C=C1)CSCCOC1=CC=CC=C1)C.O(C1=CC=CC=C1)CCSCC=1C=C(C=CC1)C=1C(=CC=CC1)C(=O)O>>CN(CCCCNC(=O)C=1C(=CC=CC1)C1=CC(=CC=C1)CSCCOC1=CC=CC=C1)C | 5 |
[N+:1]([C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][C:5]=1[S:10]([NH:13][C:14]1[CH:19]=[C:18]([CH3:20])[CH:17]=[CH:16][C:15]=1[CH3:21])(=[O:12])=[O:11])([O-])=O.[OH-].[K+]>CCOC(C)=O>[NH2:1][C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][C:5]=1[S:10]([NH:13][C:14]1[CH:19]=[C:18]([CH3:20])[CH:17]=[CH:16][C:15]=1[CH3:21])(=[O:12])=[O:11] | 2 |
C(N(C(C)C)C(C)C)C.[Br:10][C:11]1[C:19]2[C:18](Cl)=[N:17][CH:16]=[N:15][C:14]=2[NH:13][CH:12]=1.[NH:21]1[C:25]2[CH:26]=[CH:27][CH:28]=[CH:29][C:24]=2[N:23]=[C:22]1[C:30]1([CH2:36][NH2:37])[CH2:35][CH2:34][NH:33][CH2:32][CH2:31]1>C(O)CCC>[NH:21]1[C:25]2[CH:26]=[CH:27][CH:28]=[CH:29][C:24]=2[N:23]=[C:22]1[C:30]1([CH2:36][... | 2 |
[NH:1]1[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[C:3]([C@H:10]([CH3:50])[C@@H:11]([NH:35][C:36]([N:38]2[CH2:43][CH2:42][CH:41]([C:44]3[CH:49]=[CH:48][CH:47]=[CH:46][CH:45]=3)[CH2:40][CH2:39]2)=[O:37])[C:12]([NH:14][C:15]2[CH:16]=[C:17]([CH:32]=[CH:33][CH:34]=2)[CH2:18][N:19]2[CH2:24][CH2:23][N:22](C(OC(C)(C)C)=O)[CH2:2... | 2 |
ClC1=NC=2N(C(=C1C1=CC=CC=C1)Cl)N=C(N2)C2=NC=CC=C2>N(C)(C)C=O.C(C)(C)N>ClC1=NC=2N(C(=C1C1=CC=CC=C1)NC(C)C)N=C(N2)C2=NC=CC=C2 | 3 |
CN(C(ON1N=NC2[CH:12]=[CH:13][CH:14]=[N:15]C1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.[Cl:25][C:26]1[C:27]([F:55])=[C:28]([NH:32][C:33]2[C:42]3[C:37](=[CH:38][C:39]([O:53][CH3:54])=[C:40]([O:43][C@@H:44]4[CH2:48][N:47]([CH3:49])[C@H:46]([C:50](O)=[O:51])[CH2:45]4)[CH:41]=3)[N:36]=[CH:35][N:34]=2)[CH:29]=[CH:30][CH:31]=1.C1(N)C... | 2 |
BrC1=CC=C(C=C1)C1=CN=C(N1)[C@H]1N(CCC1)C([C@H](C(C)C)NC=1SC=CN1)=O.CC([C@@H](C(=O)N1[C@@H](CCC1)C=1NC(=CN1)C1=CC=C(C=C1)B1OC(C(O1)(C)C)(C)C)NC=1SC=CN1)C>O.COCCOC.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(O)([O-])=O.[Na+]>C1(=... | 3 |
C1(CC1)[C@H]([C@@H](C(=O)O)C)C1=CC2=C(C=C(O2)C2=CC=C(C=C2)C2=C(C=CC(=C2)OC)F)C=C1>[HH].C(C)(=O)OCC.[Pd]>C1(CC1)[C@H]([C@@H](C(=O)OC)C)C1=CC2=C(CC(O2)C2=CC=C(C=C2)C2=C(C=CC(=C2)OC)F)C=C1 | 3 |
C(C1=CC=CC=C1)OC1=CC(=C(C[C@H]2C(N(CC2)C2CCCC=3C=NNC23)=O)C(=C1)Cl)Cl>O=S(=O)(O)C.CSC>ClC1=C(C[C@H]2C(N(CC2)C2CCCC=3C=NNC23)=O)C(=CC(=C1)O)Cl | 3 |
[CH3:1][O:2][C:3]1[C:13]([N+:14]([O-:16])=[O:15])=[CH:12][C:6]2[CH2:7][CH2:8][NH:9][CH2:10][CH2:11][C:5]=2[CH:4]=1.[CH3:17][C:18]([CH3:20])=O.C(O)(=O)C.CO.C([BH3-])#N.[Na+]>>[CH:18]([N:9]1[CH2:10][CH2:11][C:5]2[CH:4]=[C:3]([O:2][CH3:1])[C:13]([N+:14]([O-:16])=[O:15])=[CH:12][C:6]=2[CH2:7][CH2:8]1)([CH3:20])[CH3:17] | 1 |
C(OC([N:8]1[CH2:13][CH2:12][CH:11]([C:14]2[CH:19]=[CH:18][CH:17]=[C:16]([C:20]3[N:28]4[C:23]([C:24]([NH2:29])=[N:25][CH:26]=[N:27]4)=[C:22]([C:30]4[CH:31]=[CH:32][C:33]5[C:37]([CH:38]=4)=[N:36][N:35]([CH2:39][C:40]4[CH:45]=[CH:44][CH:43]=[CH:42][CH:41]=4)[CH:34]=5)[CH:21]=3)[CH:15]=2)[CH2:10][CH2:9]1)=O)(C)(C)C.C(OCC)(... | 1 |
[CH2:1]([O:3][C:4]1[CH:5]=[C:6]([CH:9]=[C:10]([N+:22]([O-:24])=[O:23])[C:11]=1[O:12][CH2:13][C:14]1[CH:19]=[CH:18][CH:17]=[C:16]([O:20][CH3:21])[CH:15]=1)[CH:7]=O)[CH3:2].[CH3:25]/[C:26](/[NH2:30])=[CH:27]\[C:28]#[N:29].[CH2:31]([CH:34]1[CH2:39][C:38](=[O:40])[CH2:37][C:36](=O)[CH2:35]1)[CH2:32][CH3:33]>C(O)C>[CH2:1]([... | 1 |
CC1(CC(C1)C(=O)O)C.NC1=NC=NN2C1=CC=C2[C@@H]2O[C@]([C@@H]1[C@H]2OC(O1)(C)C)(C#N)CO>N(C)(C)C=O.C1(=CC=NC=C1)N(C)C.Cl.CN(CCCN=C=NCC)C>NC1=NC=NN2C1=CC=C2[C@@H]2O[C@]([C@@H]1[C@H]2OC(O1)(C)C)(C#N)COC(=O)C1CC(C1)(C)C | 3 |
[CH2:1]([O:8][C:9]1[CH:14]=[CH:13][C:12]([C:15](=[O:21])[CH2:16][CH2:17][C:18]([OH:20])=[O:19])=[C:11]([CH3:22])[CH:10]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.OS(O)(=O)=O.[CH3:28][CH2:29]O>>[CH2:28]([O:19][C:18](=[O:20])[CH2:17][CH2:16][C:15]([C:12]1[CH:13]=[CH:14][C:9]([O:8][CH2:1][C:2]2[CH:3]=[CH:4][CH:5]=[CH:6][... | 2 |
ClCC(=O)NC1=CC=CC=C1>N(C)(C)C=O.[N-]=[N+]=[N-].[Na+]>N(=N)CC(=O)NC1=CC=CC=C1 | 3 |
Br[C:2]1[CH:3]=[CH:4][CH:5]=[C:6]2[C:11]=1[N:10]=[C:9]([NH:12][C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1)[C:8]([CH3:19])=[N:7]2.C([Sn](CCCC)(CCCC)[C:25]([O:27]CC)=[CH2:26])CCC.CC(C1C=C(C(C)C)C(C2C=CC=CC=2P(C2CCCCC2)C2CCCCC2)=C(C(C)C)C=1)C.[F-].[Cs+]>O1CCOCC1.CCOC(C)=O.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1C=CC(... | 1 |
[F:1][C:2]1[CH:11]=[C:10]2[C:5]([N:6]=[CH:7][C:8](=[O:15])[N:9]2[CH2:12][CH:13]=O)=[CH:4][CH:3]=1.[C:16]([O:20][C:21](=[O:40])[N:22]([CH2:29][C:30]1[CH:39]=[CH:38][C:33]2[O:34][CH2:35][CH2:36][O:37][C:32]=2[CH:31]=1)[CH:23]1[CH2:28][CH2:27][NH:26][CH2:25][CH2:24]1)([CH3:19])([CH3:18])[CH3:17].C(O[BH-](OC(=O)C)OC(=O)C)(... | 1 |
COC1=CC=C(CCl)C=C1.BrC=1C(=C(C(=NC1)O)[N+](=O)[O-])C>N(C)(C)C=O.[H-].[Na+]>COC1=CC=C(CN2C(C(=C(C(=C2)Br)C)[N+](=O)[O-])=O)C=C1 | 3 |
BrC=1C=NC=NC1.OC=1C=C(C=O)C=CC1>[Cu]I.O.C1=CC=NC(=C1)C(=O)O[H].CS(=O)C.P(=O)([O-])([O-])[O-].[K+].[K+].[K+]>N1=CN=CC(=C1)OC=1C=C(C=O)C=CC1 | 3 |
[F:1][C:2]1[C:7]([F:8])=[CH:6][C:5]([O:9][CH3:10])=[C:4]([N+:11]([O-])=O)[C:3]=1[NH:14][C:15]1[CH:20]=[CH:19][C:18]([I:21])=[CH:17][C:16]=1[F:22].[Cl-].[NH4+]>[Fe].C(OCC)(=O)C>[F:8][C:7]1[C:2]([F:1])=[C:3]([NH:14][C:15]2[CH:20]=[CH:19][C:18]([I:21])=[CH:17][C:16]=2[F:22])[C:4]([NH2:11])=[C:5]([O:9][CH3:10])[CH:6]=1 | 1 |
[C-]#N.[Na+].C(C)OC(CC1=C(OC2=C1C=C(C=C2)Br)C)=O>N(C)(C)C=O.O.[Cu+].[C-]#N>C(C)OC(CC1=C(OC2=C1C=C(C=C2)C#N)C)=O | 3 |
Br[C:2]1[N:7]=[C:6]([CH2:8][OH:9])[C:5]([F:10])=[CH:4][CH:3]=1>CO>[F:10][C:5]1[C:6]([CH2:8][OH:9])=[N:7][CH:2]=[CH:3][CH:4]=1 | 1 |
[NH2:1][C@@H:2]([CH2:24][C:25]1[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=1)[C@H:3]([OH:23])[CH2:4][N:5](OC1CCCC1)[S:6]([C:9]1[CH:14]=[CH:13][C:12]([O:15][CH3:16])=[CH:11][CH:10]=1)(=[O:8])=[O:7].Cl.CN(C)[CH2:34][CH2:35][CH2:36]N=C=NCC.[OH:43]N1C2C=CC=CC=2N=N1.Cl.[NH2:54][C:55](=[O:74])[CH2:56][C@H:57]([NH:61][C:62]([C:64]1... | 1 |
F[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[S:8]([NH:11][C:12]1[CH:21]=[CH:20][C:19]2[C:14](=[CH:15][CH:16]=[CH:17][CH:18]=2)[C:13]=1[C:22]([O:24]C)=[O:23])(=[O:10])=[O:9].C(N(CC)CC)C.[CH2:33]([NH2:37])[CH2:34][CH2:35][CH3:36].[Li+].[OH-]>C(#N)C>[CH2:33]([NH:37][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[S:8]([NH:11][C:12]1[C... | 1 |
NC=1C=CC=C2C=CC=NC12.C(C)(=O)C1=CC=C(S1)C(=O)O>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.Cl.C(C)N=C=NCCCN(C)C>C(C)(=O)C1=CC=C(S1)C(=O)NC=1C=CC=C2C=CC=NC12 | 3 |
P(=O)(OCC1=CC=CC=C1)(OCC1=CC=CC=C1)OCCC(CO)(C)C>N(C)(C)C=O.[Cr](=O)(=O)([O-])O[Cr](=O)(=O)[O-].[NH+]1=CC=CC=C1.[NH+]1=CC=CC=C1>C(C1=CC=CC=C1)OP(=O)(OCC1=CC=CC=C1)OCCC(C(=O)O)(C)C | 3 |
C[O:2][C:3](=[O:31])[CH2:4][O:5][C:6]1[CH:15]=[CH:14][C:13]([Cl:16])=[C:12]2[C:7]=1[C:8]([O:27][CH:28]([F:30])[F:29])=[C:9]([CH2:19][C:20]1[CH:25]=[CH:24][C:23]([F:26])=[CH:22][CH:21]=1)[C:10]([CH2:17][CH3:18])=[N:11]2.CO.[OH-].[Li+].Cl>O.O1CCCC1>[Cl:16][C:13]1[CH:14]=[CH:15][C:6]([O:5][CH2:4][C:3]([OH:31])=[O:2])=[C:7... | 1 |
C(C#C)O.FC(C1=CC=C(C=C1)I)(F)F>CC#N.[Cu]I.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].CCN(CC)CC>FC(C1=CC=C(C=C1)C#CCO)(F)F | 3 |
ClC1=CC(=NC=C1)CO>C1(=CC=CC=C1)C.ClS(Cl)=O>ClC1=CC(=NC=C1)CCl | 3 |
N(C)OC.N=1N(N=CC1)C1=CC=C(C=C1)C(C(=O)O)OC>ClCCl.Cl.C(O)([O-])=O.[Na+].CN1CCOCC1.C(C(C)C)OC(=O)Cl>N=1N(N=CC1)C1=CC=C(C=C1)C(C(=O)N(C)OC)OC | 3 |
[C-]#N.[Zn+2].[C-]#N.BrC1=CN=C(S1)C1=CN=C(N=N1)N>>NC=1N=NC(=CN1)C=1SC(=CN1)C#N | 5 |
[C:1]([CH:3]([CH:7]1[C:11]([Cl:12])=[C:10](Cl)C(=O)O1)[C:4]([NH2:6])=[O:5])#[N:2].[F:15][C:16]1[CH:17]=[C:18]([C@H:23]([NH2:25])[CH3:24])[CH:19]=[C:20]([F:22])[CH:21]=1.C(N(CC)CC)C>CO>[ClH:12].[Cl:12][C:11]1[CH:7]=[C:3]([C:4]([NH2:6])=[O:5])[C:1](=[NH:2])[N:25]([C@@H:23]([C:18]2[CH:19]=[C:20]([F:22])[CH:21]=[C:16]([F:1... | 2 |
C(C)OC(=O)C=1N(N=NC1C(C)C)C1=C(C=CC=C1Cl)Cl>C1(=CC=CC=C1)C.C1CCCO1.CC(C)C[AlH]CC(C)C>ClC1=C(C(=CC=C1)Cl)N1N=NC(=C1CO)C(C)C | 3 |
[CH3:1][C:2]1[CH:3]=[N:4][N:5]([C:7]2[CH:12]=[CH:11][N:10]=[CH:9][C:8]=2[N:13]2[CH2:18][CH2:17][CH:16]([C:19]([OH:21])=O)[CH2:15][CH2:14]2)[CH:6]=1.CCN(C(C)C)C(C)C.CN(C(ON1N=[N:46][C:41]2[CH:42]=[CH:43][CH:44]=[N:45][C:40]1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.Cl.N1CCC[C@H]1C#N>O.[Cl-].[Na+].O.CN(C=O)C>[CH3:1][C:2]1[CH:3]=... | 2 |
C([O:3][C:4](=O)[C:5]([NH:29][C:30](=[O:32])[CH3:31])([CH2:11][C:12]1[S:13][CH:14]=[C:15]([C:17]#[C:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH3:28])[CH:16]=1)C(OCC)=O)C.[BH4-].[Li+].O1CCCC1>O1CCCC1>[C:17]([C:15]1[CH:16]=[C:12]([CH2:11][CH:5]([NH:29][C:30](=[O:32])[CH3:31])[CH2:4][OH:... | 1 |
CC=1C(=NC2=CC=CC=C2C1)NC(CCC)C1=CC=C(C(=O)OCC)C=C1>>CC=1C(=NC2=CC=CC=C2C1)NC(CCC)C1=CC=C(C(=O)O)C=C1 | 5 |
[CH2:1]([O:3][C:4]1[N:9]=[C:8]([NH:10][C:11](=[O:19])OC2C=CC=CC=2)[CH:7]=[N:6][CH:5]=1)[CH3:2].[CH3:20][C:21]1[CH:26]=[C:25]([C:27]2[CH:28]=[CH:29][C:30]3[N:36]4[CH2:37][C@H:33]([CH2:34][CH2:35]4)[NH:32][C:31]=3[N:38]=2)[CH:24]=[CH:23][N:22]=1.CO>CN(C1C=CN=CC=1)C.C1COCC1.C(Cl)Cl>[CH2:1]([O:3][C:4]1[N:9]=[C:8]([NH:10][C... | 2 |
NC=1C=CC(=NC1)C.ClC1=CC=C(N=N1)C1=NC2=C(N1CCC)C=CC=C2>>CC1=CC=C(C=N1)NC=1N=NC(=CC1)C1=NC2=C(N1CCC)C=CC=C2 | 5 |
C1(CCCCC1)N=C=O.Cl.CNCC1=C2CN(C(C2=CC=C1)=O)C1C(NC(CC1)=O)=O>>C1(CCCCC1)NC(N(C)CC1=C2CN(C(C2=CC=C1)=O)C1C(NC(CC1)=O)=O)=O | 5 |
Cl.NC1=CC=C(C=C1)CCOC1=CC=C(C=C1)C[C@@H](C(=O)O)OCC.C1(=CC=CC=C1)C(CC=O)C1=CC=C(C=C1)C>C1CCCO1.S(O)(O)(=O)=O.CO[H].ClCCl.[Na+].[BH4-]>C(C)O[C@H](C(=O)O)CC1=CC=C(C=C1)OCCC1=CC=C(C=C1)NCCC(C1=CC=CC=C1)S(=O)(=O)C1=CC=C(C=C1)C | 3 |
C1(CCCCC1)NC1=NC=C(C(=O)O)C=C1[N+](=O)[O-]>CO[H].Cl[Si](C)(C)C>C1(CCCCC1)NC1=NC=C(C(=O)OC)C=C1[N+](=O)[O-] | 3 |
[C:1]([OH:6])(=[O:5])[C:2]([CH3:4])=[CH2:3].[OH-].[Ca+2:8].[OH-]>>[C:1]([O-:6])(=[O:5])[C:2]([CH3:4])=[CH2:3].[Ca+2:8].[C:1]([O-:6])(=[O:5])[C:2]([CH3:4])=[CH2:3].[C:1](=[O:6])=[O:5] | 1 |
C(C)(=O)Cl.COC1C2C3=C(C(C1)C2)C=CC=C3OC>O.ClCCl.[Al](Cl)(Cl)Cl>C(C)(=O)C1C(C2C3=C(C1C2)C=CC=C3OC)OC | 3 |
BrC=1C=C(C=CC1)C.NC1=C(C(=O)OC(C)(C)C)C=CC(=C1)CCC1=CC=CC=C1>>CC=1C=C(NC2=C(C(=O)OC(C)(C)C)C=CC(=C2)CCC2=CC=CC=C2)C=CC1 | 5 |
BrCC(=O)OC(C)(C)C.C(#N)C1=CC=C(CO)C=C1>C1(=CC=CC=C1)C.[OH-].[Na+].S(=O)(=O)(O)[O-].C(CCC)[N+](CCCC)(CCCC)CCCC>C(#N)C1=CC=C(COCC(=O)OC(C)(C)C)C=C1 | 3 |
C(NC1C=CC(C2C=C3C(CN([C@@H](C(C)C)C(O)=O)C3=O)=CC=2)=CC=1)(=O)C1C=CC=CC=1.[CH3:33][CH:34]([CH3:68])[C@H:35]([N:40]1[CH2:48][C:47]2[C:42](=[CH:43][C:44]([C:49]3[CH:54]=[CH:53][C:52]([NH:55][C:56](=[O:66])[C:57]4[CH:62]=[CH:61][C:60]([CH2:63][CH2:64][CH3:65])=[CH:59][CH:58]=4)=[CH:51][CH:50]=3)=[CH:45][CH:46]=2)[C:41]1=[... | 1 |
C1(CCC1)NC(=O)[C@H]1N(CCC1)C(COC1=CC(=NC2=CC(=CC=C12)C)C(=O)O)=O.C(CCC)OC(=O)N1CCN(CC1)C([C@H](CCC=1N=NNN1)N)=O>>C(CCC)OC(=O)N1CCN(CC1)C([C@H](CCC=1N=NNN1)NC(=O)C1=NC2=CC(=CC=C2C(=C1)OCC(=O)N1[C@@H](CCC1)C(NC1CCC1)=O)C)=O | 5 |
C(O)(=O)C.[CH:5]([NH2:7])=[NH:6].Br[CH:9]([CH3:15])[C:10]([CH:12]1[CH2:14][CH2:13]1)=O.C(N(CC)CC)C>C(O)C>[CH:12]1([C:10]2[N:6]=[CH:5][NH:7][C:9]=2[CH3:15])[CH2:14][CH2:13]1 | 1 |
C(C1=CC=CC=C1)(=O)Cl.ClC1=NN=C(C2=CC=CC=C12)N1[C@@H](CN[C@@H](C1)C)C>N(C)(C)C=O.C(C)(=O)OCC.C(C)(C)N(C(C)C)CC.CCCCCC.CCCC(C)C.CCC(C)CC>ClC1=NN=C(C2=CC=CC=C12)N1C[C@H](N(C[C@H]1C)C(=O)C1=CC=CC=C1)C | 3 |
N1(CCOCC1)C(=O)C1=CC=C(C=C1)B(O)O.C(C1=CC=CC=C1)NC1=NC=C(C(N1C)=O)C1=CC(=C(C=C1)OC1=C2C(=NC=C1)C=C(S2)I)F>>C(C1=CC=CC=C1)NC1=NC=C(C(N1C)=O)C1=CC(=C(C=C1)OC1=C2C(=NC=C1)C=C(S2)C2=CC=C(C=C2)C(=O)N2CCOCC2)F | 5 |
C(=O)([O-])[O-].[K+].[K+].[C:7]([O:11][C:12]([N:14]1[CH2:19][CH2:18][CH2:17][CH:16](OS(C)(=O)=O)[CH2:15]1)=[O:13])([CH3:10])([CH3:9])[CH3:8].[SH:25][C:26]1[CH:27]=[C:28]2[C:33](=[CH:34][CH:35]=1)[C:32]([NH:36][C:37](=[O:44])[C:38]1[CH:43]=[CH:42][CH:41]=[CH:40][CH:39]=1)=[N:31][CH:30]=[CH:29]2>CN(C=O)C>[C:7]([O:11][C:1... | 1 |
[C:1]([C:3]1[C:4]([S:13]C(=O)N(C)C)=[CH:5][C:6]2[CH2:7][CH2:8][CH2:9][CH2:10][C:11]=2[CH:12]=1)#[N:2].C[O-].[Na+].CO.Cl>CN(C)C=O>[SH:13][C:4]1[C:3]([C:1]#[N:2])=[CH:12][C:11]2[CH2:10][CH2:9][CH2:8][CH2:7][C:6]=2[CH:5]=1 | 1 |
C(C)(=O)Cl.C(C)C=1C=C(C=C2NC(C(NC12)=S)(C)C)F>C1CCCO1.CCN(CC)CC.O.NN>C(C)C=1C=C(C=C2NC(C(NC12)=NNC(C)=O)(C)C)F | 3 |
[CH2:1]([N:4]([CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][C:11]1[CH:12]=[C:13]2[C:17](=[CH:18][CH:19]=1)[NH:16][CH:15]=[CH:14]2)[CH3:5])[CH:2]=[CH2:3].F[C:21]1[CH:26]=[CH:25][C:24]([C:27]([F:30])([F:29])[F:28])=[CH:23][CH:22]=1>>[CH2:1]([N:4]([CH3:5])[CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][C:11]1[CH:12]=[C:13]2[C:17](=[CH:18][CH... | 1 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([S:8]([NH:11][CH2:12][CH:13]([C:22]2[CH:23]=[N:24][CH:25]=[CH:26][CH:27]=2)[CH2:14][CH2:15][CH2:16][CH2:17][C:18]([O:20]C)=[O:19])(=[O:10])=[O:9])=[CH:4][CH:3]=1>CO.[OH-].[Na+]>[ClH:1].[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([S:8]([NH:11][CH2:12][CH:13]([C:22]2[CH:23]=[N:24][CH:25]=[CH:26][CH:27]=... | 1 |
Cl[C:2]1[N:7]=[CH:6][C:5]([S:8]([C:11]2[N:15]([C:16]3[CH:21]=[CH:20][CH:19]=[C:18]([CH3:22])[C:17]=3[F:23])[N:14]=[C:13]([CH2:24][N:25]([CH3:33])[C:26](=[O:32])[O:27][C:28]([CH3:31])([CH3:30])[CH3:29])[CH:12]=2)(=[O:10])=[O:9])=[CH:4][CH:3]=1.[C:34](=O)([O-])[O-].[K+].[K+].CB(O)O>C1(OC)CCCC1>[CH3:34][C:2]1[N:7]=[CH:6][... | 2 |
[Cl:1][C:2]1[C:10]([CH3:11])=[CH:9][CH:8]=[C:4]([C:5]([OH:7])=O)[C:3]=1[C:12]([OH:14])=[O:13]>C(OC(=O)C)(=O)C>[Cl:1][C:2]1[C:10]([CH3:11])=[CH:9][CH:8]=[C:4]2[C:5]([O:14][C:12](=[O:13])[C:3]=12)=[O:7] | 1 |
[C:1]([O:5]C(OC(OC(C)(C)C)=O)=O)(C)(C)C.[CH2:16]([NH:19][C:20]1[N:21]=[C:22]([NH2:30])[C:23]2[S:28][CH:27]=[C:26]([CH3:29])[C:24]=2[N:25]=1)[CH:17]=[CH2:18].[CH2:31]([NH2:35])[CH2:32][CH2:33][CH3:34].C(OCC)(=O)C.CCCCCC>C(#N)C>[CH2:16]([NH:19][C:20]1[N:21]=[C:22]([NH:30][C:1](=[O:5])[NH:35][CH2:31][CH2:32][CH2:33][CH3:3... | 1 |
C(C)S(=O)(=O)O.CCCCCCCCCCCCOC(=O)C(C)N(C)C>C(C)(=O)OCC>C(C)S(=O)(=O)O.CN(C(C(=O)OCCCCCCCCCCCC)C)C | 3 |
BrC1=CC(=C(C(=O)O)C=C1)C.C(=O)C=1C=C(C=CC1)OB(O)O>C1(=CC=CC=C1)C.CCO[H].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(O)([O-])=O.[Na+]>C(=O)C=1C=C(C=CC1)C1=CC=C(C=C1)C(=O)OC | 3 |
NC1=C(C(=O)O)C=CC(=C1F)Br>C(=O)N>BrC1=CC=C2C(NC=NC2=C1F)=O | 3 |
ClCCOC=1C(=CC2=C(N=C(S2)N)C1)OCCCl>>ClCCOC=1C(=CC2=C(N=CS2)C1)OCCCl | 5 |
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