smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
CC([CH:5]1[CH2:10][N:9]([CH2:11][CH2:12][C:13]2[CH:22]=[CH:21][C:16]3[C:17](=[O:20])[O:18][CH2:19][C:15]=3[C:14]=2[CH3:23])[CH2:8][CH2:7][N:6]1C([O-])=O)(C)C.[ClH:27]>O1CCOCC1>[ClH:27].[CH3:23][C:14]1[C:15]2[CH2:19][O:18][C:17](=[O:20])[C:16]=2[CH:21]=[CH:22][C:13]=1[CH2:12][CH2:11][N:9]1[CH2:10][CH2:5][NH:6][CH2:7][CH... | 1 |
NC1CCN(CC1)C(=O)OC(C)(C)C.BrC(C(=O)Br)CCCBr>>BrC(C(=O)NC1CCN(CC1)C(=O)OC(C)(C)C)CCCBr | 5 |
Cl.NC(C(=O)OCC)C(=O)OCC.C(C)(=O)C1C(CCCC1=O)=O>O.C(C)(=O)O.C(C)(=O)[O-].[Na+]>CC=1NC(=C2CCCC(C12)=O)C(=O)OCC | 3 |
N(N)C=1N=C2C(=NC1)N(C=C2)S(=O)(=O)C2=CC=C(C)C=C2.C(C)[C@H]1[C@H]2C(O[C@@H](C1)C2)=O>O1CCOCC1.C[Al](C)C.C(C)[C@H]1[C@H](C[C@H](C1)O)C(=O)NNC=1N=C2C(=NC1)N(C=C2)S(=O)(=O)C2=CC=C(C)C=C2>C(C)C1C(CC(C1)O)C(=O)NNC=1N=C2C(=NC1)N(C=C2)S(=O)(=O)C2=CC=C(C)C=C2 | 3 |
BrC=1C=C(C=CC1)N1C=NC2=CC(=CC=C2C1=O)C(=O)O>N(C)(C)C=O.O.Cl.CNOC.C(C)(C)N(C(C)C)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>BrC=1C=C(C=CC1)N1C=NC2=CC(=CC=C2C1=O)C(=O)N(C)OC | 4 |
Cl.[F:2][C:3]1[CH:8]=[CH:7][C:6]([C:9](=O)[CH2:10][CH2:11][CH2:12][CH2:13][N:14]2[CH2:19][CH2:18][CH:17]([C:20]([OH:33])([C:27]3[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=3)[C:21]3[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=3)[CH2:16][CH2:15]2)=[CH:5][CH:4]=1.Cl.[NH2:36][OH:37]>N1C=CC=CC=1>[F:2][C:3]1[CH:8]=[CH:7][C:6]([C:9](=[N:... | 1 |
C(C)(C)O.BrC(C(F)(F)C1C(CC(C1)C(=O)O)C(=O)O)(F)F>>BrC(C(F)(F)C1C(CC(C1)C(=O)OC(C)C)C(=O)OC(C)C)(F)F | 5 |
[CH2:1]1[C:4](=[O:5])[N:3]2[C@@H:6]([C:12]([O-:14])=[O:13])/[C:7](/[O:11][C@H:2]12)=[CH:8]/[CH2:9][OH:10].[K+].S(=O)(=O)(O)O>C(OCC)(=O)C>[CH2:1]1[C:4](=[O:5])[N:3]2[C@@H:6]([C:12]([OH:14])=[O:13])/[C:7](/[O:11][C@H:2]12)=[CH:8]/[CH2:9][OH:10] | 1 |
[Cl:1][C:2]1[CH:3]=[N:4][C:5]([O:8][C:9]2[CH:14]=[CH:13][C:12]([N:15]=[C:16]=[O:17])=[CH:11][C:10]=2[CH3:18])=[N:6][CH:7]=1.[CH3:19][N:20]([CH3:30])[C:21]1[CH:29]=[CH:28][CH:27]=[CH:26][C:22]=1[C:23]([NH2:25])=[O:24]>C1(C)C=CC=CC=1>[Cl:1][C:2]1[CH:7]=[N:6][C:5]([O:8][C:9]2[CH:14]=[CH:13][C:12]([NH:15][C:16]([NH:25][C:2... | 1 |
Cl[CH2:2][CH2:3][CH2:4][O:5][C:6]1[CH:15]=[C:14]2[C:9]([C:10]([O:16][C:17]3[CH:22]=[C:21]([CH3:23])[C:20]([CH3:24])=[CH:19][C:18]=3[C:25](=[O:27])[CH3:26])=[CH:11][CH:12]=[N:13]2)=[CH:8][C:7]=1[O:28][CH3:29].[NH:30]1[CH:34]=[CH:33][N:32]=[CH:31]1.C(=O)([O-])[O-].[K+].[K+].O>CN(C)C=O>[N:30]1([CH2:2][CH2:3][CH2:4][O:5][C... | 1 |
CS(O)(=O)=O.O[CH2:7][CH2:8][CH2:9][N:10]1[C:14]2[CH:15]=[CH:16][C:17]([CH3:19])=[CH:18][C:13]=2[NH:12][C:11]1=[O:20].[C:21]1([N:27]2[C:31]3([CH2:36][CH2:35][NH:34][CH2:33][CH2:32]3)[C:30](=[O:37])[NH:29][CH2:28]2)[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1.C(=O)([O-])[O-].[Na+].[Na+]>CN(C)C=O>[CH3:19][C:17]1[CH:16]=[CH:15]... | 1 |
[Cl:1][C:2]1[N:7]=[CH:6][C:5]([C:8]2[O:9][C:10]([CH3:16])=[C:11]([C:13](O)=[O:14])[N:12]=2)=[C:4]([NH:17][CH:18]([CH3:20])[CH3:19])[CH:3]=1.S(Cl)(Cl)=O.[N-:25]=[N+:26]=[N-:27].[Na+]>O>[Cl:1][C:2]1[N:7]=[CH:6][C:5]([C:8]2[O:9][C:10]([CH3:16])=[C:11]([C:13]([N:25]=[N+:26]=[N-:27])=[O:14])[N:12]=2)=[C:4]([NH:17][CH:18]([C... | 1 |
BrC1=CC=C2C(C(COC2=C1)NC(=O)[C@H]1N(CCC1)C(=O)OC(C)(C)C)=O>>BrC=1C=CC2=C(C1)OCC1=C2N=C(N1)[C@H]1N(CCC1)C(=O)OC(C)(C)C | 5 |
OC1C2=CC=CC=C2CC12CCN(CC2)C(=O)OC(C)(C)C>CO[H].[HH].[Pd].C(C)(=O)O>N1(CCC2(CC1)CC1=CC=CC=C1C2)C(=O)OC(C)(C)C | 3 |
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([C:8](=[N:12]O)[CH2:9][O:10][CH3:11])=[CH:4][CH:3]=1.O1CCCC1.[OH-].[Na+]>[Cl-].[Na+].O>[Br:1][C:2]1[CH:3]=[CH:4][C:5]([CH:8]([NH2:12])[CH2:9][O:10][CH3:11])=[CH:6][CH:7]=1 | 2 |
FC=1C=C(C=CC1)B(O)O.CON(C(=O)C1=CC=2C(=NC=CC2)N1)C>>FC=1C=C(C=CC1)N1C(=CC=2C1=NC=CC2)C(=O)N(C)OC | 5 |
C(C)(C)(C)OC(NC1=C(C=CC=C1)C(C1=C(C=CC=C1)Cl)=O)=O>>NC1=C(C=CC=C1)C(=O)C1=C(C=CC=C1)Cl | 5 |
[C:1]([NH2:5])([CH3:4])([CH3:3])[CH3:2].[C:6]([N:10]1[C:14](=[O:15])[C:13](Cl)=[C:12]([C:17]2[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=2)[S:11]1(=[O:24])=[O:23])([CH3:9])([CH3:8])[CH3:7]>>[C:6]([N:10]1[C:14](=[O:15])[C:13]([NH:5][C:1]([CH3:4])([CH3:3])[CH3:2])=[C:12]([C:17]2[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=2)[S:11]1(=... | 1 |
NO.OC1=C(C=CC(=C1)OC)C(=O)C1=C(N(C2=CC(=CC=C12)OC(F)(F)F)S(=O)(=O)C1=CC=C(C=C1)C)C>>OC1=C(C=CC(=C1)OC)C(=NO)C1=C(N(C2=CC(=CC=C12)OC(F)(F)F)S(=O)(=O)C1=CC=C(C=C1)C)C | 5 |
COC1C=C(OC)C=CC=1C[N:6]1[C:11](=[O:12])[C:10]2[CH:13]=[C:14]([CH2:16][CH3:17])[S:15][C:9]=2[NH:8][C:7]1=[O:18].[F:25][C:26]1[CH:27]=[C:28]([C:40]#[N:41])[C:29]([C:32]2[CH:37]=[CH:36][C:35]([CH2:38]O)=[CH:34][CH:33]=2)=[CH:30][CH:31]=1.N(C(N1CCCCC1)=O)=NC(N1CCCCC1)=O.C(P(CCCC)CCCC)CCC>C(OCC)(=O)C.O1CCCC1>[CH2:16]([C:14]... | 1 |
CC1(OB(OC1(C)C)C=1C=CC=2C3=C(N=CC2C1)N(N=C3)C(C)=O)C.BrC=1C(=C(C=CC1F)NS(=O)(=O)CCC)Cl>>ClC1=C(C=CC(=C1C=1C=CC=2C3=C(N=CC2C1)NN=C3)F)NS(=O)(=O)CCC | 5 |
ClC1=NC=C(C(=C1)Cl)[N+](=O)[O-].O1C(CCCC1)N1C=NC2=C1C=CC(=C2)[C@H](C)N>>N1C=NC2=C1C=CC(=C2)[C@H](C)NC2=CC(=NC=C2[N+](=O)[O-])Cl | 5 |
ClC1=CC(=C(C=C1)NC(C1=CC(=CC=C1)C=1C=CC=C2C=CC=NC12)=O)C#N>>ClC1=CC(=C(C=C1)NC(C1=CC(=CC=C1)C=1C=CC=C2C=CC=NC12)=O)C1=NN=NN1 | 5 |
FC1=C(C=CC(=C1)F)N1N=NC(=C1)C(C)N1C=C(C2=C1N=CN=C2N)I.C1(CC1)OC1=CC=C(C=N1)B(O)O>O.O1CCOCC1.C([O-])([O-])=O.[Na+].[Na+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>C1(CC1)OC1=CC=C(C=N1)C1=CN(C=2N=CN=C(C21)N)C(C)C=2N=NN(C2)C2=C(C=... | 3 |
[NH:1](C(OCC1C=CC=CC=1)=O)[C@H:2]([C:10]([NH:12][CH2:13][C:14]([NH:16][C@H:17]([C:19]([NH:21][C@H:22]([C:27]([O:29][CH3:30])=[O:28])[CH2:23][CH:24]([CH3:26])[CH3:25])=[O:20])[CH3:18])=[O:15])=[O:11])[CH2:3][C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=1>C(O)C.[Pd]>[NH2:1][C@H:2]([C:10]([NH:12][CH2:13][C:14]([NH:16][C@H:17]([C... | 2 |
FC1=CC=C(C=C1)N1C=NC=C1C(=O)OCC>C1CCCO1.CC(C)C[AlH]CC(C)C>FC1=CC=C(C=C1)N1C=NC=C1CO | 3 |
BrC=1C=2N(C=CC1)N=CC2.FC=1C(=CC(=C2NC(C=3N(C12)C(=NN3)C)(C)C)C)B3OC(C(O3)(C)C)(C)C>O.O1CCOCC1.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[F-].[Cs+]>FC=1C(=CC(=C2NC(C=3N(C12)C(=NN3)C)(C)C)C)C=3C=1N(C=CC3)N=CC1 | 3 |
[N:1]1[N:5]2[CH2:6][CH2:7][CH2:8][N:9]([C:11]([O:13][CH2:14][C:15]3[CH:20]=[C:19]([C:21]([F:24])([F:23])[F:22])[CH:18]=[C:17]([C:25]([F:28])([F:27])[F:26])[CH:16]=3)=[O:12])[CH2:10][C:4]2=[CH:3][C:2]=1[C:29]([O:31]CC)=[O:30].[OH-].[Na+].CO.Cl>C1COCC1.[Cl-].[Na+].O>[F:27][C:25]([F:26])([F:28])[C:17]1[CH:16]=[C:15]([CH:2... | 2 |
Br[C:2]1[CH:7]=[C:6]([C@@H:8]([NH:11][C:12]([C:14]2[C:15]3[CH:22]=[N:21][N:20]([C:23]4[CH:28]=[CH:27][C:26]([F:29])=[CH:25][CH:24]=4)[C:16]=3[CH:17]=[N:18][CH:19]=2)=[O:13])[CH2:9][CH3:10])[CH:5]=[CH:4][N:3]=1.Cl.CN.C[CH2:34][N:35](C(C)C)C(C)C>CS(C)=O.C(=O)(O)[O-].[Na+]>[CH3:34][NH:35][C:2]1[CH:7]=[C:6]([C@@H:8]([NH:11... | 1 |
C(C)C(CNC1=C(C(=O)OCC)C=CC=N1)CC>>C(C)C(CN1C(OC(C2=C1N=CC=C2)=O)=O)CC | 5 |
C[Si](C)(C)Cl.C(C)(C)(C)OC(NC1=C(C(=CC(=C1)F)F)F)=O>C1CCCO1.C(CCC)[Li].[Cl-].[NH4+].CCCCCC.CCCC(C)C.CCC(C)CC>C(C)(C)(C)OC(NC1=C(C(=C(C(=C1)F)[Si](C)(C)C)F)F)=O | 3 |
[CH3:1][N:2]([C:21]1[CH:29]=[C:28]2[C:24]([C:25]([CH3:30])=[N:26][NH:27]2)=[CH:23][CH:22]=1)[C:3]1[CH:8]=[CH:7][N:6]=[C:5]([NH:9][C:10]2[CH:15]=[CH:14][CH:13]=[C:12]([CH2:16][S:17]([CH3:20])(=[O:19])=[O:18])[CH:11]=2)[N:4]=1.[C:31]([O-])([O-])=O.[Cs+].[Cs+].IC>CN(C=O)C.O>[CH3:31][N:26]1[C:25]([CH3:30])=[C:24]2[C:28]([C... | 1 |
[C:1]([O:5][C:6](CNC/C=C/C(O)=O)=[O:7])([CH3:4])([CH3:3])[CH3:2].[N:16]1[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=1.C1CCC(N=C=NC2CCCCC2)CC1.[Cl:37][C:38]1[CH:39]=[C:40]([NH:45][C:46]2[C:55]3[C:50](=[CH:51][C:52]([O:56][CH2:57][CH3:58])=[CH:53][CH:54]=3)[N:49]=[CH:48][C:47]=2[C:59]#[N:60])[CH:41]=[CH:42][C:43]=1[F:44]>C(Cl)... | 2 |
C(C)(C)(C)OC(=O)N1C[C@@H]2COC3=C(C(N2CC1)=O)C(=NC(=C3F)C3=C(C=CC=C3O)F)NC=3C(=NC=CC3C)C(C)C>CO[H].Cl.O1CCOCC1>FC1=C(N=C(C=2C(N3[C@@H](COC21)CNCC3)=O)NC=3C(=NC=CC3C)C(C)C)C3=C(C=CC=C3O)F | 3 |
O1CCOC12C=C(CCC2)CO>ClCCl.C([O-])([O-])=O.[Na+].[Na+].C(C)N(CC)S(F)(F)F>FCC1=CC2(OCCO2)CCC1 | 3 |
[CH3:1]S(C)=O.C(Cl)(=O)C(Cl)=O.[CH2:11]([O:18][C@@H:19]1[C@@H:27]([CH2:28][OH:29])[O:26][C@H:25]2[C@H:21]([N:22]=[C:23]([N:30]([CH3:32])[CH3:31])[S:24]2)[C@H:20]1[O:33][CH2:34][C:35]1[CH:40]=[CH:39][CH:38]=[CH:37][CH:36]=1)[C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1.C(N(CC)CC)C.C[Mg]Cl>ClCCl.C1COCC1>[CH2:11]([O:18][... | 2 |
OC1=CC=C(C(=O)OCC)C=C1.Cl.ClCCN(C)C>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>CN(CCOC1=CC=C(C(=O)OCC)C=C1)C | 3 |
[CH:1]1([CH2:7][C@H:8]([NH:18][C:19]([C@@H:21]([NH:28][C:29]([C@H:31]([CH2:39][C:40]([C@@H:42]2[CH2:46][CH2:45][CH2:44][N:43]2[C:47]([O:49][C:50]([CH3:53])([CH3:52])[CH3:51])=[O:48])=[O:41])[CH2:32][C:33]2[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=2)=[O:30])[CH2:22][C:23]2[N:24]=[CH:25][NH:26][CH:27]=2)=[O:20])[C@@H:9]([OH:... | 1 |
C(C)(C)N1CCNCC1.BrC1=NC=C(C(=C1)C)Br>>BrC=1C(=CC(=NC1)N1CCN(CC1)C(C)C)C | 5 |
BrC1C=CC(S(O[CH2:12][C@@H:13]2[O:27][C:17]3=[C:18]4[C:23](=[CH:24][CH:25]=[C:16]3[O:15][CH2:14]2)[N:22]=[C:21]([CH3:26])[CH:20]=[CH:19]4)(=O)=O)=CC=1.[NH:28]1[CH2:33][CH2:32][CH:31]([CH2:34][C:35]2[CH:36]=[CH:37][C:38]3[O:43][CH2:42][C:41](=[O:44])[NH:40][C:39]=3[CH:45]=2)[CH2:30][CH2:29]1.C(N(CC)C(C)C)(C)C.C(=O)(O)[O-... | 2 |
C(=O)C=1C=C(C=CC1)C1=C(C=C(C=C1)C(=O)N)C.Cl.CC1(CCC(CC1)CN)C>CO[H].C(C)(=O)O.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>Cl.CC1(CCC(CC1)CNCC=1C=C(C=CC1)C1=C(C=C(C=C1)C(=O)N)C)C | 3 |
[CH2:1]([O:4][C:5]1[C:6](=[O:29])[O:7][C@H:8]([CH2:11][CH2:12]/[CH:13]=[CH:14]\[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH3:28])[C:9]=1[OH:10])[CH:2]=[CH2:3]>CO>[OH:10][C:9]1[C@@H:8]([CH2:11][CH2:12]/[CH:13]=[CH:14]\[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]... | 1 |
IC1=NN(C2=NC(=CN=C21)N2CCC1([C@@H]([C@@H](OC1)C)NC(OC(C)(C)C)=O)CC2)C2OCCCC2.C[C@H]1CCNC=2C=CC(=NC12)C(=O)OC>C1(=CC=CC=C1)C.C(=O)([O-])[O-].[Cs+].[Cs+].CC(C)C1=CC(C(C)C)=CC(C(C)C)=C1C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC.CNC5=C(C6=C([Pd]OS(C)(=O)=O)C=CC=C6)C=CC=C5>C(C)(C)(C)OC(=O)N[C@@H]1[C@@H](OCC12CCN(CC2)C2=CN=C1C(=... | 3 |
C([O:8][C@@H:9]1[C@@H:17]([C@@H:18]([O:21]CC2C=CC=CC=2)[CH2:19][F:20])[O:16][C@H:15]2[C@H:11]([N:12]=[C:13]([N:29]([CH3:31])[CH3:30])[S:14]2)[C@H:10]1[O:32]CC1C=CC=CC=1)C1C=CC=CC=1.B(Cl)(Cl)Cl.CO.[NH4+].[OH-]>ClCCl>[CH3:30][N:29]([CH3:31])[C:13]1[S:14][C@H:15]2[O:16][C@H:17]([C@H:18]([OH:21])[CH2:19][F:20])[C@@H:9]([OH... | 1 |
NC1=NC=CC=C1O.N1(CCCC2=CC=CC=C12)S(=O)(=O)C1=CC=C(C(=O)O)C=C1>>N1(CCCC2=CC=CC=C12)S(=O)(=O)C1=CC=C(C(=O)NC2=NC=CC=C2O)C=C1 | 3 |
Br[C:2]1[C:3](=[O:10])[N:4]([CH2:8][CH3:9])[CH:5]=[CH:6][N:7]=1.C(=O)([O-])[O-].[K+].[K+].[CH:17]1[CH:22]=[CH:21][C:20]([CH2:23][SH:24])=[CH:19][CH:18]=1.O>C1COCC1>[CH2:23]([S:24][C:2]1[C:3](=[O:10])[N:4]([CH2:8][CH3:9])[CH:5]=[CH:6][N:7]=1)[C:20]1[CH:21]=[CH:22][CH:17]=[CH:18][CH:19]=1 | 1 |
CC=1C=NC(=C(C1OC)C)C[S+](C=2NC=3C=CC(=CC3N2)OC)[O-].[Ca]>>CC=1C=NC(=C(C1OC)C)C[S+](C=2NC=3C=CC(=CC3N2)OC)[O-] | 5 |
ClC1=C(C(NC2=CN=C(C=C12)Cl)=O)C#N.Cl.C1CCC12CCNCC2>N(C)(C)C=O.O.C(C)(=O)OCC.C(C)(C)N(C(C)C)CC>ClC=1C=C2C(=C(C(NC2=CN1)=O)C#N)N1CCC2(CCC2)CC1 | 3 |
Br[C:2]1[CH:7]=[CH:6][C:5]([S:8]([C:11]2[CH:18]=[CH:17][CH:16]=[CH:15][C:12]=2[C:13]#[N:14])(=[O:10])=[O:9])=[CH:4][CH:3]=1.C(C1C=CC=CC=1S)#N.[F:28][C:29]1[CH:34]=[C:33]([F:35])[CH:32]=[CH:31][C:30]=1[C:36](=[O:38])[CH3:37].P([O-])([O-])([O-])=O.[K+].[K+].[K+].[Cl-].[NH4+]>O1CCCC1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=... | 1 |
[Br:1][C:2]1[CH:3]=[C:4]([CH2:22][CH:23]([OH:28])[C:24]([O:26][CH3:27])=[O:25])[CH:5]=[C:6]([Br:21])[C:7]=1[O:8][C:9]1[CH:14]=[C:13]([CH:15]([CH3:17])[CH3:16])[C:12]([O:18]C)=[C:11]([I:20])[CH:10]=1.CSC.B(F)(F)F>ClCCl>[Br:1][C:2]1[CH:3]=[C:4]([CH2:22][CH:23]([OH:28])[C:24]([O:26][CH3:27])=[O:25])[CH:5]=[C:6]([Br:21])[C... | 2 |
C1(CC1)COC=1C=NC=CC1CNC=1CC(CC(C1C(NC1=CC=CC=C1)=S)=O)C(=O)OC>O(O[H])[H].CO[H].[O-]S(=O)(=S)[O-].[Na+].[Na+]>N(C1=CC=CC=C1)C1=C(NC=2CC(CC(C12)=O)C(=O)OC)C1=C(C=NC=C1)OCC1CC1 | 3 |
[CH3:1][S:2][CH:3]([C:8]1[CH:13]=[CH:12][CH:11]=[C:10]([C:14]([O:23][CH3:24])([O:21][CH3:22])[C:15]2[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=2)[CH:9]=1)[C:4]([O:6][CH3:7])=[O:5].[H-].[Na+].[CH3:27]I.[Cl-].[NH4+]>CS(C)=O>[CH3:1][S:2][C:3]([C:8]1[CH:13]=[CH:12][CH:11]=[C:10]([C:14]([O:21][CH3:22])([O:23][CH3:24])[C:15]2[CH:... | 1 |
NC=1C=C(C=NC1)Br.C(C)(C)(C)OC(=O)NC=1C=C(C(=O)O)C=CC1>c1ccncc1.CCN=C=NCCCN(C)C>BrC=1C=C(C=NC1)NC(=O)C=1C=C(C=CC1)NC(OC(C)(C)C)=O | 3 |
[N-:1]=[N+:2]=[N-:3].[Na+].[CH2:5]([O:12][C:13]([N:15]1[CH2:19][CH:18]=[CH:17][C@H:16]1[CH2:20]OS(C)(=O)=O)=[O:14])[C:6]1[CH:11]=[CH:10][CH:9]=[CH:8][CH:7]=1>CN(C=O)C>[CH2:5]([O:12][C:13]([N:15]1[CH2:19][CH:18]=[CH:17][C@H:16]1[CH2:20][N:1]=[N+:2]=[N-:3])=[O:14])[C:6]1[CH:7]=[CH:8][CH:9]=[CH:10][CH:11]=1 | 2 |
BrC1=C(C=CC=C1C(C)C)C(C)C.[Br-].C(C)OC(C[Zn+])=O>C1CCCO1.[Cl-].[NH4+].[Pd].C(C)(C)(C)P(C(C)(C)C)C(C)(C)C.C(C)(C)(C)P(C(C)(C)C)C(C)(C)C>C(C)(C)C1=C(C(=CC=C1)C(C)C)CC(=O)OCC | 3 |
[NH:1]1[CH:8]=[CH:7][C:5]([NH2:6])=[N:4][C:2]1=[O:3].[C:9]1([CH3:15])C=CC=C[CH:10]=1.C(N(CC)CC)C.[OH2:23]>>[C:10]([NH:6][C:5]1[CH:7]=[CH:8][NH:1][C:2](=[O:3])[N:4]=1)(=[O:23])[CH2:9][CH3:15] | 2 |
ClC(Cl)(OC(OC(Cl)(Cl)Cl)=O)Cl.CN(S(=O)(=O)C)C1CCNCC1>>CS(=O)(=O)N(C1CCN(CC1)C(=O)Cl)C | 5 |
Cl.ClC1=C(C(=CC=C1)Cl)NN.FC1=C(C=CC(=C1)F)C(CC=1C=CC=2N(N1)C(=NN2)C(C)C)=O>CCO[H].COC(N(C)C)OC>ClC1=C(C(=CC=C1)Cl)N1N=C(C(=C1)C=1C=CC=2N(N1)C(=NN2)C(C)C)C2=C(C=C(C=C2)F)F | 3 |
[Cl:1][C:2]1[CH:10]=[CH:9][C:8](SC)=[CH:7][C:3]=1[C:4]([OH:6])=[O:5].[C:13]([O-])(O)=O.[Na+].O[O:19][S:20]([O-:22])=O.[K+].[O-]S([O-])(=S)=O.[Na+].[Na+].Cl>[OH-].[Na+].C(N(CC(O)=O)CC(O)=O)CN(CC(O)=O)CC(O)=O>[Cl:1][C:2]1[CH:10]=[CH:9][C:8]([S:20]([CH3:13])(=[O:22])=[O:19])=[CH:7][C:3]=1[C:4]([OH:6])=[O:5] | 1 |
CC1CN(C(=CC1)OS(=O)(=O)C(F)(F)F)C(=O)OC(C)(C)C.ClC=1C=C(C=CC1C(F)(F)F)B1OC(C(O1)(C)C)(C)C>O.ClCCl.O1CCOCC1.C([O-])([O-])=O.[Na+].[Na+].ClCCl.[Pd](Cl)Cl.C1(=CC=CC=C1)P(C1=CC=CC=C1)[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2].C1(=CC=CC=C1)P(C1=CC=CC=C1)[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2]>ClC=1C=C(C=CC1C(F)(F)F)C1=CCC(CN1C(=O)OC(C)(C)... | 3 |
C(=O)C1(CC1)C(=O)OC.FC(C(=O)N([C@H]1[C@@H](C1)C1=CC=CC=C1)CC1(CCNCC1)CC1=CC=C(C=C1)F)(F)F>CO[H].ClCCl.C(C)(C)N(C(C)C)CC.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>FC1=CC=C(CC2(CCN(CC2)CC2(CC2)C(=O)OC)CN(C(C(F)(F)F)=O)[C@H]2[C@@H](C2)C2=CC=CC=C2)C=C1 | 3 |
[OH:1][C:2]([CH3:35])([CH3:34])[CH2:3][C@@:4]1([C:28]2[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=2)[O:9][C:8](=[O:10])[N:7]([C@H:11]([C:13]2[CH:18]=[CH:17][C:16](B3OC(C)(C)C(C)(C)O3)=[CH:15][CH:14]=2)[CH3:12])[CH2:6][CH2:5]1.[Br:36][C:37]1[CH:38]=[N:39][C:40](=[O:44])[N:41]([CH3:43])[CH:42]=1.BrC1C=NC(O)=NC=1>>[OH:1][C:2]([... | 1 |
C(C)(C)(C)OC(=O)COC1=CC=C(C=C1)CC(C(=O)OC)OCC1=CC=C(C=C1)F>Cl>C(=O)(O)COC1=CC=C(C=C1)CC(C(=O)OC)OCC1=CC=C(C=C1)F | 3 |
OC1=CC=C(C=O)C=C1.N[C@@H]1[C@H](C[C@@H](OC1)C(C1=CC=CC=C1)C1=CC=CC=C1)O>>C(C1=CC=CC=C1)(C1=CC=CC=C1)[C@@H]1OC[C@@H]([C@H](C1)O)NCC1=CC=C(C=C1)O | 5 |
[CH:1]1([CH2:4][C:5]([C:9]2[CH:10]=[N:11][C:12]([CH:15]([F:17])[F:16])=[N:13][CH:14]=2)([CH3:8])[C:6]#[N:7])[CH2:3][CH2:2]1.N.O.OCC1(OC[C@@H](O)[C@@H](O)[C@H]1O)O>CO.[Ni]>[CH:1]1([CH2:4][C:5]([C:9]2[CH:10]=[N:11][C:12]([CH:15]([F:16])[F:17])=[N:13][CH:14]=2)([CH3:8])[CH2:6][NH2:7])[CH2:3][CH2:2]1 | 1 |
ClC=1N=CN(C1)C1=C(C=C(C=C1)NC1=NNC(=N1)C1(SCCCS1)CCCCCl)OC>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+].[I-].[K+]>ClC=1N=CN(C1)C1=C(C=C(C=C1)NC1=NN2C(=N1)C1(SCCCS1)CCCC2)OC | 3 |
C[Si](Br)(C)C.C([NH:8][CH:9](/[CH:20]=[C:21](\[CH3:33])/[CH2:22][P:23]([O:29]C(C)C)([O:25]C(C)C)=[O:24])[C:10]([O:12][CH2:13][C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1)=[O:11])=O.C(O)C1C=CC=CC=1>ClCCl>[NH2:8]/[C:9](=[CH:20]/[CH:21]([CH3:33])[CH2:22][P:23]([OH:29])([OH:25])=[O:24])/[C:10]([O:12][CH2:13][C:14]1[CH:19... | 1 |
CNCCC1=CC=CC=C1.ClC(C(C)(C)OC(=O)N1C2CN(CC1C(=C(C2)C2=CC(=CC=C2)CC(C)O)C(=O)OCC)C(C)=O)(Cl)Cl>>ClC(C(C)(C)OC(=O)N1C2CN(CC1C(=C(C2)C2=CC(=CC=C2)CC(C)O)C(N(CCC2=CC=CC=C2)C)=O)C(C)=O)(Cl)Cl | 5 |
OC1=C2C(N(C(C2=CC=C1)=O)C)=O>>CN1CC=2C=CC=C(C2C1)O | 5 |
[CH:1]1([C:7]2[C:8]([O:16][CH2:17][C:18]([F:21])([F:20])[F:19])=[N:9][CH:10]=[C:11]([CH:15]=2)[C:12]([OH:14])=O)[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.[CH3:22][C:23]1[N:27]=[C:26]([CH2:28][NH2:29])[O:25][N:24]=1>>[CH:1]1([C:7]2[C:8]([O:16][CH2:17][C:18]([F:21])([F:20])[F:19])=[N:9][CH:10]=[C:11]([CH:15]=2)[C:12]([NH:29][... | 1 |
[F:1][CH:2]([F:28])[O:3][C:4]1[C:5]([C:14]([C:17]2[NH:21][C:20]3[CH:22]=[CH:23][C:24]([C:26]#[N:27])=[CH:25][C:19]=3[N:18]=2)([OH:16])[CH3:15])=[C:6]2[C:10](=[C:11]([CH3:13])[CH:12]=1)[NH:9][CH:8]=[CH:7]2.C1C(=O)N([Cl:36])C(=O)C1>CN(C=O)C>[Cl:36][C:7]1[C:6]2[C:10](=[C:11]([CH3:13])[CH:12]=[C:4]([O:3][CH:2]([F:1])[F:28]... | 1 |
[F:1][C:2]1[CH:3]=[C:4]([CH:7]=[C:8]([CH:10]=O)[CH:9]=1)[C:5]#[N:6].[NH2:12][C@@H:13]1[CH2:17][N:16]([CH2:18][CH2:19][O:20][CH3:21])[CH2:15][C@H]1C1C=CC(F)=C(C=1)C#N>>[NH2:12][C@@H:13]1[CH2:17][N:16]([CH2:18][CH2:19][O:20][CH3:21])[CH2:15][C@H:10]1[C:8]1[CH:7]=[C:4]([CH:3]=[C:2]([F:1])[CH:9]=1)[C:5]#[N:6] | 2 |
[CH3:1][O:2][C:3]([C:5]1[C:10]([NH2:11])=[N:9][C:8]([NH:12][CH:13]2[CH2:18][CH2:17][NH:16][CH2:15][CH2:14]2)=[CH:7][N:6]=1)=[O:4].[NH2:19][C:20]1[C:29]2[C:24](=[CH:25][C:26]([O:32][CH3:33])=[C:27]([O:30][CH3:31])[CH:28]=2)[N:23]=[C:22](Cl)[N:21]=1>C(O)CC(C)C>[CH3:1][O:2][C:3]([C:5]1[C:10]([NH2:11])=[N:9][C:8]([NH:12][C... | 1 |
NC=1C=CC(=C(C1)C1=CC=C(C=C1)C(=O)NCC1CC1)C.FC1=CC=C(C=C1)C1=CN=CC(=N1)C(=O)O>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.OC1=CC=CC=2NN=NC21.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>C1(CC1)CNC(=O)C1=CC=C(C=C1)C1=CC(=CC=C1C)NC(=O)C1=NC(=CN=C1)C1=CC=C(C=C1)F | 3 |
BrCC#CC.C[C@@H]1N(C[C@H](N(C1)C(C)C=1C=C2N=CC=NC2=CC1)C)C=1C=2C(N(C(C1)=O)C)=CNN2>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>C(C#CC)N1N=C2C(N(C(C=C2N2[C@H](CN([C@@H](C2)C)C(C)C=2C=C3N=CC=NC3=CC2)C)=O)C)=C1 | 3 |
CN(C)C=O.[H-].[Na+].[Cl:8][C:9]1[CH:14]=[C:13]([O:15][C:16]2[C:25]3[C:20](=[CH:21][C:22]([O:28][CH3:29])=[C:23]([O:26][CH3:27])[CH:24]=3)[N:19]=[CH:18][N:17]=2)[CH:12]=[CH:11][C:10]=1[NH:30][C:31](=[O:41])[O:32][CH2:33][C:34]1[CH:39]=[CH:38][CH:37]=[CH:36][C:35]=1[CH3:40].[CH2:42](I)[CH3:43]>O>[Cl:8][C:9]1[CH:14]=[C:13... | 1 |
Cl[CH2:2][C:3]([NH:5][C:6]1[CH:7]=[C:8]([CH:25]=[CH:26][C:27]=1[O:28][C:29]([F:32])([F:31])[F:30])[C:9]([NH:11][C:12]1[CH:13]=[N:14][C:15]([C:18]2[CH:23]=[CH:22][CH:21]=[CH:20][C:19]=2[F:24])=[CH:16][CH:17]=1)=[O:10])=[O:4].[I-].[K+].C(N(C(C)C)C(C)C)C.[CH3:44][N:45]1[CH2:50][CH2:49][NH:48][CH:47]([CH3:51])[CH2:46]1>CN(... | 2 |
C(C)(OC)(OC)OC.NC1=CC(=C(C#N)C=C1NCC)I>C(C)(=O)O>C(C)N1C(=NC2=C1C=C(C(=C2)I)C#N)C | 3 |
Cl.NC(C1=C(C=C(C#N)C=C1)SC)C1=C(CCCC1=O)NC1=CC(=CC=C1)C(F)(F)F>>O=C1N(C=2CCCC(C2C(N1)C1=C(C=C(C#N)C=C1)SC)=O)C1=CC(=CC=C1)C(F)(F)F | 5 |
Cl.C(C)(C)(C)ON.CC1(C(N(C=2C=C3C(=CC12)N=C(N3)NC(C3=CC=CC=C3)=O)CCC=O)=O)C>>C(C)(C)(C)ON=CCCN1C(C(C=2C=C3C(=CC12)NC(=N3)NC(C3=CC=CC=C3)=O)(C)C)=O | 5 |
C1(=CC=CC=C1)CC(=O)Cl.C(C(=O)O)(=O)O.C1(=CC=C(C=C1)CC1NCCC2=CC(=C(C=C12)OC)OC)C1=CC=CC=C1>[OH-].[Na+]>C1(=CC=C(C=C1)CC1N(CCC2=CC(=C(C=C12)OC)OC)C(CC1=CC=CC=C1)=O)C1=CC=CC=C1 | 3 |
[C:1]([C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][CH:4]=1)#[CH:2].[CH2:9]([Li])[CH2:10][CH2:11][CH3:12].[CH3:14][SiH:15](Cl)[CH3:16]>O1CCCC1>[C:3]1([C:1]#[C:2][Si:15]([C:9]#[C:10][C:11]2[CH:12]=[CH:4][CH:3]=[CH:1][CH:2]=2)([CH3:16])[CH3:14])[CH:8]=[CH:7][CH:6]=[CH:5][CH:4]=1 | 1 |
ClC=1C=C(C=CC1)C1=CC(=C2C(=N1)CCC2)SC2=CC=C(C=C2)CC(=O)OC>>ClC=1C=C(C=CC1)C1=CC(=C2C(=N1)CCC2)S(=O)(=O)C2=CC=C(C=C2)CC(=O)OC | 5 |
S(=O)(=O)(OC)OC.CN(C)CC1=C(C=C(C=C1OC)C=1C=2C=C(N=CC2C(N(C1)C)=O)NCCOCCOCCNC(OC(C)(C)C)=O)OC>O.C([O-])([O-])=O.[K+].[K+].CC(=O)C>CN(C)CC1=C(C=C(C=C1OC)C=1C=2C=C(N=CC2C(N(C1)C)=O)N(CCOCCOCCNC(OC(C)(C)C)=O)C)OC | 3 |
[CH:1]([C:4]1[NH:12][C:11]2[C:10](=O)[NH:9][C:8](=[O:14])[N:7]([CH2:15][C:16]3[CH:21]=[CH:20][N:19]=[CH:18][CH:17]=3)[C:6]=2[N:5]=1)([CH3:3])[CH3:2].P12(SP3(SP(SP(S3)(S1)=S)(=S)S2)=S)=[S:23].[OH-].[Na+]>N1C=CC=CC=1>[CH:1]([C:4]1[NH:12][C:11]2[C:10](=[S:23])[NH:9][C:8](=[O:14])[N:7]([CH2:15][C:16]3[CH:21]=[CH:20][N:19]=... | 1 |
C(#N)C1CC2(CN(C2)C(=O)OC(C)(C)C)C1>O.CO[H].[HH].N.[Al].[Ni]>NCC1CC2(CN(C2)C(=O)OC(C)(C)C)C1 | 3 |
Cl.Cl.NN.FC1=CC(=CC2=C1OCCO2)C(C#N)C(C)=O>CCN(CC)CC.CCO[H]>FC1=CC(=CC2=C1OCCO2)C=2C(=NNC2N)C | 3 |
[NH:1]([C:8]1[CH:9]=[C:10]2[C:15](=[O:16])[NH:14][C:12](=[O:13])[C:11]2=[CH:17][C:18]=1[NH:19][C:20]1[CH:25]=[CH:24][C:23]([O:26]C)=[CH:22][CH:21]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.B(Br)(Br)Br>C(Cl)(Cl)Cl>[NH:1]([C:8]1[CH:9]=[C:10]2[C:15](=[O:16])[NH:14][C:12](=[O:13])[C:11]2=[CH:17][C:18]=1[NH:19][C:20]1[CH:2... | 1 |
[CH3:1][O:2][C:3](=[O:14])[CH2:4][CH2:5][CH2:6][C:7]1[CH:12]=[CH:11][CH:10]=[CH:9][C:8]=1[OH:13].[Br:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]Br>>[CH3:1][O:2][C:3](=[O:14])[CH2:4][CH2:5][CH2:6][C:7]1[CH:12]=[CH:11][CH:10]=[CH:9][C:8]=1[O:13][CH2:20][CH2:19][CH2:18][CH2:17][CH2:16][Br:15] | 1 |
CN1C(=NC2=C1C=CC=C2)C.S(SCCNC(CCl)=O)CCNC(CCl)=O>>[Cl-].S(SCCNC(CN1C(=[N+](C2=C1C=CC=C2)C)C)=O)CCNC(CN2C(=[N+](C1=C2C=CC=C1)C)C)=O.[Cl-] | 5 |
[CH2:1]([N:3]([CH2:26][CH3:27])[C:4]([C@H:6]1[CH2:11][CH2:10][C@H:9]2[C@H:12]3[C@H:22]([CH2:23][CH2:24][C@:7]12[CH3:8])[C@:20]1([CH3:21])[C:15](=[CH:16][C:17](=[O:25])[CH2:18][CH2:19]1)[NH:14][CH2:13]3)=[O:5])[CH3:2].[H-].[Na+].CI.[C:32](OCC)(=O)C>CN(C=O)C>[CH2:26]([N:3]([CH2:1][CH3:2])[C:4]([C@H:6]1[CH2:11][CH2:10][C@... | 1 |
I[C:2]1[CH:7]=[CH:6][C:5]([O:8][C:9](=[O:18])[N:10]([CH3:17])[C:11]2[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=2)=[CH:4][CH:3]=1.[N:19]1[CH:24]=[CH:23][CH:22]=[C:21](B(O)O)[CH:20]=1>>[N:19]1[CH:24]=[CH:23][CH:22]=[C:21]([C:2]2[CH:7]=[CH:6][C:5]([O:8][C:9](=[O:18])[N:10]([CH3:17])[C:11]3[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=... | 1 |
[CH3:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[CH:13]=[CH:12][C:11]([C:14](=O)[CH2:15][CH2:16][C:17]([OH:19])=[O:18])=[CH:10][CH:9]=2)=[CH:4][CH:3]=1.Cl.[NH2:22][OH:23].C(=O)([O-])[O-].[Na+].[Na+]>C(O)C>[OH:23][N:22]=[C:14]([C:11]1[CH:12]=[CH:13][C:8]([C:5]2[CH:6]=[CH:7][C:2]([CH3:1])=[CH:3][CH:4]=2)=[CH:9][CH:10]=1)[CH2:15][C... | 1 |
C1(=CC=C(C=C1)S(=O)(=O)Cl)C.C(=O)C1=CNC2=CC=CC=C12>C1CCCO1.[H-].[Na+]>CC1=CC=C(C=C1)S(=O)(=O)N1C=C(C2=CC=CC=C12)C=O | 3 |
BrC=1C=C(C=CC1)CC(=O)O>N(C)(C)C=O.C1CCCO1.C(C(=O)Cl)(=O)Cl>BrC=1C=C(C=CC1)CC(=O)Cl | 3 |
C(C1=CC=CC=C1)OC(=O)N1CC(C(CC1)(OC)OC)OCC1=CC=CC=C1>>C(C1=CC=CC=C1)OC(=O)N1CC(C(CC1)=O)OCC1=CC=CC=C1 | 5 |
COC=1C=C(C=C(C1OC)OC)C.ClC1=C(C(=O)O)C(=C(C=C1)Cl)C>ClCCl.O=P12OP3(=O)OP(=O)(O1)OP(=O)(O2)O3.C(C)(C)(C)OC.CCCCCC>ClC1=C(C(=O)C2=C(C(=C(C=C2C)OC)OC)OC)C(=C(C=C1)Cl)C | 3 |
FC1=CC(=C(C=C1)CN(C1CN(CC1)C(=O)OC(C)(C)C)C)C(F)(F)F>>FC1=CC(=C(C=C1)CN(C1CNCC1)C)C(F)(F)F | 5 |
C(C)(C)(C)OC(=O)N1CC2(C1)CCC(CC2)C(=O)O.N[C@@H](CCCCCC(=O)C=1OC=CN1)C=1NC(=CN1)C=1C=C2C=CC(=NC2=CC1OC)C>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.CCCP1(=O)OP(=O)(OP(=O)(O1)CCC)CCC>COC1=C(C=C2C=CC(=NC2=C1)C)C1=CN=C(N1)[C@H](CCCCCC(=O)C=1OC=CN1)NC(=O)C1CCC2(CN(C2)C(=O)OC(C)(C)C)CC1 | 3 |
[F:1][C:2]1[CH:3]=[CH:4][C:5]2[N:11]3[CH:12]=[N:13][C:14](I)=[C:10]3[CH2:9][N:8]([CH3:16])[C:7](=[O:17])[C:6]=2[CH:18]=1.[Cl:19][C:20]1[CH:25]=[CH:24][C:23]([C:26]#[CH:27])=[CH:22][CH:21]=1>C(NCC)C.C(Cl)Cl.Cl[Pd](Cl)([P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)[P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.[Cu]I>[Cl:19][C:20]1[... | 1 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.