smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
Br[C:2]1[CH:7]=[CH:6][C:5]([C:8]2[O:9][C:10]([CH3:16])=[C:11]([CH2:13][CH2:14][OH:15])[N:12]=2)=[CH:4][CH:3]=1.[C:17]([C:20]1[CH:21]=[C:22](B(O)O)[CH:23]=[CH:24][CH:25]=1)(=[O:19])[CH3:18].C([O-])([O-])=O.[Na+].[Na+]>O1CCOCC1>[OH:15][CH2:14][CH2:13][C:11]1[N:12]=[C:8]([C:5]2[CH:6]=[CH:7][C:2]([C:24]3[CH:23]=[CH:22][CH:21]=[C:20]([C:17](=[O:19])[CH3:18])[CH:25]=3)=[CH:3][CH:4]=2)[O:9][C:10]=1[CH3:16] | 1 |
[CH:1]([C@:3]12[CH2:41][CH2:40][C@@H:39]([C:42]([CH3:44])=[CH2:43])[C@@H:4]1[C@@H:5]1[C@@:18]([CH3:21])([CH2:19][CH2:20]2)[C@@:17]2([CH3:22])[C@@H:8]([C@:9]3([CH3:38])[C@@H:14]([CH2:15][CH2:16]2)[C:13]([CH3:24])([CH3:23])[C:12]([C:25]2[CH:37]=[CH:36][C:28]([C:29]([O:31][C:32]([CH3:35])([CH3:34])[CH3:33])=[O:30])=[CH:27][CH:26]=2)=[CH:11][CH2:10]3)[CH2:7][CH2:6]1)=O.[C:45](O)(=[O:47])C.[CH3:49][N:50]([CH3:55])[CH2:51][CH2:52][CH2:53][NH2:54].C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+]>ClCCCl.C([O-])(O)=O.[Na+]>[OH:47][CH2:45][CH2:55][NH:50][CH2:51][C@:52]12[CH2:53][CH2:40][C@@H:39]([C:42]([CH3:44])=[CH2:43])[C@@H:4]1[C@@H:5]1[C@@:18]([CH3:21])([CH2:19][CH2:20]2)[C@@:17]2([CH3:22])[C@@H:8]([C@:9]3([CH3:38])[C@@H:14]([CH2:15][CH2:16]2)[C:13]([CH3:23])([CH3:24])[C:12]([C:25]2[CH:37]=[CH:36][C:28]([C:29]([O:31][C:32]([CH3:35])([CH3:34])[CH3:33])=[O:30])=[CH:27][CH:26]=2)=[CH:11][CH2:10]3)[CH2:7][CH2:6]1.[CH3:49][N:50]([CH3:55])[CH2:51][CH2:52][CH2:53][NH:54][CH2:1][C@:3]12[CH2:41][CH2:40][C@@H:39]([C:42]([CH3:44])=[CH2:43])[C@@H:4]1[C@@H:5]1[C@@:18]([CH3:21])([CH2:19][CH2:20]2)[C@@:17]2([CH3:22])[C@@H:8]([C@:9]3([CH3:38])[C@@H:14]([CH2:15][CH2:16]2)[C:13]([CH3:23])([CH3:24])[C:12]([C:25]2[CH:26]=[CH:27][C:28]([C:29]([O:31][C:32]([CH3:33])([CH3:34])[CH3:35])=[O:30])=[CH:36][CH:37]=2)=[CH:11][CH2:10]3)[CH2:7][CH2:6]1 | 1 |
BrC1=CC=C(C=C1)NC(C1=CC(=C(C=C1)F)[N+](=O)[O-])=O>CCO[H].CN(CCN)C>BrC1=CC=C(C=C1)NC(C1=CC(=C(C=C1)NCCN(C)C)[N+](=O)[O-])=O | 3 |
[Cl:1][C:2]1[CH:3]=[C:4]([CH:7]=[CH:8][C:9]=1F)[C:5]#[N:6].CN.[CH:13]([N:16](C(C)C)CC)(C)C>CO>[Cl:1][C:2]1[CH:3]=[C:4]([CH:7]=[CH:8][C:9]=1[NH:16][CH3:13])[C:5]#[N:6] | 1 |
N[C@@H]([C@H](C(=O)O)O)CC1=CC=CC=C1>CO[H].Cl[Si](C)(C)C>Cl.COC([C@@H]([C@@H](CC1=CC=CC=C1)N)O)=O | 3 |
C([S:9][CH2:10][CH:11]([CH3:26])[C:12]([N:14]1[CH2:22][CH:21]2[N:17]([CH2:18][CH2:19][CH2:20]2)[CH2:16][CH:15]1[C:23]([OH:25])=[O:24])=[O:13])(=O)C1C=CC=CC=1>CO>[SH:9][CH2:10][CH:11]([CH3:26])[C:12]([N:14]1[CH2:22][CH:21]2[N:17]([CH2:18][CH2:19][CH2:20]2)[CH2:16][CH:15]1[C:23]([OH:25])=[O:24])=[O:13] | 1 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.N[C@@H](C(=O)O)CC1=CC=C(C=C1)CF>>C(C)(C)(C)OC(=O)N[C@@H](C(=O)O)CC1=CC=C(C=C1)CF | 5 |
FC=1C=C(CN2C(C(CC2)N2C[C@H]([C@@H](CC2)C2=CC=C(C=C2)O)O)=O)C=CC1C>ClCCl.C(C)N(CC)S(F)(F)F>F[C@@H]1CN(CC[C@H]1C1=CC=C(C=C1)O)C1C(N(CC1)CC1=CC(=C(C=C1)C)F)=O | 3 |
IC1=C(C(=NC=C1)OC)C=1NC(=C(N1)C)C(=O)OC(C)(C)C>>IC1=C(C(=NC=C1)OC)C=1NC(=C(N1)C)C(=O)O | 5 |
O1COCC2C1CCC(O2)C(=O)[O-]>N(C)(C)C=O.[N+](=O)([O-])[O-].C(CCC)[N+](CCCC)(CCCC)CCCC>COC(=O)[C@H]1[C@@H]([C@@H]([C@H]2O[C@H](OC[C@H]2O1)C1=CC=CC=C1)O)OC(C)=O | 3 |
BrCCCCl.OC1=CC(=NN1C)C(=O)OC>>ClCCCOC1=CC(=NN1C)C(=O)OC | 5 |
Br[C:2]1[C:3]([Cl:12])=[N:4][C:5]([O:10][CH3:11])=[N:6][C:7]=1[O:8][CH3:9].[CH:13]1(B(O)O)[CH2:15][CH2:14]1.COCCOC.C([O-])([O-])=O.[Na+].[Na+]>C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.Cl[Pd]Cl.[Fe+2].C(OCC)(=O)C>[Cl:12][C:3]1[C:2]([CH:13]2[CH2:15][CH2:14]2)=[C:7]([O:8][CH3:9])[N:6]=[C:5]([O:10][CH3:11])[N:4]=1 | 2 |
[CH2:1]([O:8][CH2:9][CH2:10][CH2:11][C:12]1[N:13]=[C:14]([C:19]2[CH:24]=[CH:23][C:22]([C:25]([F:28])([F:27])[F:26])=[CH:21][CH:20]=2)[S:15][C:16]=1[CH2:17]Cl)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[H-].[Na+].[F:31][C:32]1[CH:39]=[C:38]([OH:40])[CH:37]=[CH:36][C:33]=1[C:34]#[N:35]>CN(C=O)C>[CH2:1]([O:8][CH2:9][CH2:10][CH2:11][C:12]1[N:13]=[C:14]([C:19]2[CH:24]=[CH:23][C:22]([C:25]([F:28])([F:27])[F:26])=[CH:21][CH:20]=2)[S:15][C:16]=1[CH2:17][O:40][C:38]1[CH:37]=[CH:36][C:33]([C:34]#[N:35])=[C:32]([F:31])[CH:39]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 1 |
C([C:6]([CH:21](OCC)OCC)([CH2:9][C:10]1[CH:15]=[C:14]([O:16][CH3:17])[C:13]([O:18][CH3:19])=[CH:12][C:11]=1[CH3:20])[C:7]#[N:8])(OCC)=O.[OH-].[K+].[NH2:30][C:31]([NH2:33])=[NH:32]>C(O)C>[NH2:33][C:31]1[N:32]=[C:7]([NH2:8])[C:6]([CH2:9][C:10]2[CH:15]=[C:14]([O:16][CH3:17])[C:13]([O:18][CH3:19])=[CH:12][C:11]=2[CH3:20])=[CH:21][N:30]=1 | 1 |
COC(C1=CC(=C(C(=O)O)C=C1)F)=O>>COC(C1=CC(=C(C=C1)C(=O)Cl)F)=O | 5 |
ClC1=C(C(=O)O)C=CC(=C1SC)OC(C(F)F)(F)F>ClCCl.ClC=1C=C(C(=O)OO)C=CC1.S(=O)(=O)([O-])S(=O)[O-].[Na+].[Na+]>ClC1=C(C(=O)O)C=CC(=C1S(=O)(=O)C)OC(C(F)F)(F)F | 3 |
C(OC(=O)[NH:7][CH:8]1[CH2:13][CH2:12][CH:11]([NH:14][C:15]2[N:20]=[C:19]3[NH:21][N:22]=[C:23]([C:24]4[CH:29]=[CH:28][N:27]=[C:26]([NH:30][CH2:31][C:32]5[CH:37]=[CH:36][CH:35]=[C:34]([Cl:38])[CH:33]=5)[N:25]=4)[C:18]3=[CH:17][N:16]=2)[CH2:10][CH2:9]1)(C)(C)C>CO.Cl>[Cl:38][C:34]1[CH:33]=[C:32]([CH:37]=[CH:36][CH:35]=1)[CH2:31][NH:30][C:26]1[N:25]=[C:24]([C:23]2[C:18]3[C:19](=[N:20][C:15]([NH:14][CH:11]4[CH2:10][CH2:9][CH:8]([NH2:7])[CH2:13][CH2:12]4)=[N:16][CH:17]=3)[NH:21][N:22]=2)[CH:29]=[CH:28][N:27]=1 | 1 |
[CH3:1][O:2][C:3]1[N:8]=[CH:7][C:6]([NH2:9])=[C:5]([C:10]#[C:11][CH:12]([CH3:14])[CH3:13])[CH:4]=1.CC([O-])(C)C.[K+]>CN1CCCC1=O>[CH:12]([C:11]1[NH:9][C:6]2=[CH:7][N:8]=[C:3]([O:2][CH3:1])[CH:4]=[C:5]2[CH:10]=1)([CH3:14])[CH3:13] | 1 |
BrC1=CC(=C(S1)C)C=O>CC(C)(C)[O-].[K+].C1CCCO1.C(C)OP(=O)(OCC)CC(=O)OCC>BrC1=CC(=C(S1)C)/C=C/C(=O)OCC | 3 |
[CH3:1][N:2]([CH3:35])[C:3]1[S:4][C@H:5]2[O:11][C@H:10]([C@H:12](O)[CH3:13])[C@@H:9]([O:15][CH2:16][C:17]3[CH:22]=[CH:21][C:20]([O:23][CH3:24])=[CH:19][CH:18]=3)[C@H:8]([O:25][CH2:26][C:27]3[CH:32]=[CH:31][C:30]([O:33][CH3:34])=[CH:29][CH:28]=3)[C@H:6]2[N:7]=1.CCN(S(F)(F)[F:42])CC>ClCCl>[F:42][C@H:12]([C@H:10]1[O:11][C@H:5]2[C@H:6]([N:7]=[C:3]([N:2]([CH3:35])[CH3:1])[S:4]2)[C@@H:8]([O:25][CH2:26][C:27]2[CH:28]=[CH:29][C:30]([O:33][CH3:34])=[CH:31][CH:32]=2)[C@@H:9]1[O:15][CH2:16][C:17]1[CH:18]=[CH:19][C:20]([O:23][CH3:24])=[CH:21][CH:22]=1)[CH3:13] | 1 |
[NH2:1][CH2:2][C@@H:3]1[O:7][C:6](=[O:8])[N:5]([C:9]2[CH:14]=[CH:13][C:12]([C:15]3[S:16][CH2:17][C:18](=[O:21])[NH:19][N:20]=3)=[C:11]([F:22])[CH:10]=2)[CH2:4]1.[CH:23]1([C:26](O)=[O:27])[CH2:25][CH2:24]1>>[F:22][C:11]1[CH:10]=[C:9]([N:5]2[CH2:4][C@H:3]([CH2:2][NH:1][C:26]([CH:23]3[CH2:25][CH2:24]3)=[O:27])[O:7][C:6]2=[O:8])[CH:14]=[CH:13][C:12]=1[C:15]1[S:16][CH2:17][C:18](=[O:21])[NH:19][N:20]=1 | 1 |
[NH2:1][C:2]1[S:3][CH:4]=[C:5](/[C:7](=[N:30]/[O:31][CH3:32])/[C:8]([NH:10][CH:11]2[C:28](=[O:29])[N:13]3[C:14]([C:25]([O-:27])=[S:26])=[C:15]([CH2:18][CH:19]4[CH2:24][CH2:23][CH2:22][CH2:21][O:20]4)[CH2:16][S:17][C@H:12]23)=[O:9])[N:6]=1.[Na+].[C:34]([O:40][CH2:41]I)(=[O:39])[C:35]([CH3:38])([CH3:37])[CH3:36]>>[NH2:1][C:2]1[S:3][CH:4]=[C:5](/[C:7](=[N:30]/[O:31][CH3:32])/[C:8]([NH:10][CH:11]2[C:28](=[O:29])[N:13]3[C:14]([C:25]([O:27][CH2:41][O:40][C:34](=[O:39])[C:35]([CH3:38])([CH3:37])[CH3:36])=[S:26])=[C:15]([CH2:18][CH:19]4[CH2:24][CH2:23][CH2:22][CH2:21][O:20]4)[CH2:16][S:17][C@H:12]23)=[O:9])[N:6]=1 | 1 |
[Br:1][C:2]1[C:7]([F:8])=[CH:6][CH:5]=[CH:4][C:3]=1[F:9].OS(O)(=O)=O.[N+:15]([O-])([OH:17])=[O:16]>>[Br:1][C:2]1[C:7]([F:8])=[C:6]([N+:15]([O-:17])=[O:16])[CH:5]=[CH:4][C:3]=1[F:9] | 1 |
ClCCCC(C(=O)NNC(=O)OC(C)(C)C)C1=CC(=C(C(=C1)F)F)F>Cl.C(C)(=O)OCC>Cl.ClCCCC(C(=O)NN)C1=CC(=C(C(=C1)F)F)F | 3 |
[Cl-].[Ca+2:2].[Cl-].[C:4](=[O:7])([O-:6])[O-:5].[Na+].[Na+].[CH3:10][C:11]1[CH2:16][CH2:15][CH2:14][C:13]([CH3:18])([CH3:17])[C:12]=1/[CH:19]=[CH:20]/[C:21](/[CH3:31])=[CH:22]/[CH:23]=[CH:24]/[C:25](/[CH3:30])=[CH:26]/[C:27]([OH:29])=[O:28]>>[CH3:10][C:11]1[CH2:16][CH2:15][CH2:14][C:13]([CH3:17])([CH3:18])[C:12]=1/[CH:19]=[CH:20]/[C:21](/[CH3:31])=[CH:22]/[CH:23]=[CH:24]/[C:25](/[CH3:30])=[CH:26]/[C:27]([OH:29])=[O:28].[C:4]([O-:7])([O-:6])=[O:5].[Ca+2:2] | 2 |
CN.NC=1C(=CC(=C(C1)NC(CN(C)C)=O)C)OC.Cl.ClC1=NC2=C(C3=NC4=CC=CC(=C4C(N31)=O)F)C=CN2S(=O)(=O)C2=CC=C(C=C2)C>C1CCCO1.FC(CO)(F)F>CN(CC(=O)NC=1C(=CC(=C(C1)NC1=NC(=C2C(N1)=NC=C2)NC2=C(C(=O)NC)C(=CC=C2)F)OC)C)C | 3 |
[Fe:1].[C:2]([OH:6])(=[O:5])[CH:3]=[CH2:4]>>[C:2]([O-:6])(=[O:5])[CH:3]=[CH2:4].[Fe+2:1].[C:2]([O-:6])(=[O:5])[CH:3]=[CH2:4] | 1 |
FC1=C(CN2C(N(C(C=3C2=NN(C3CN(C)C)C3=CC=C(C=C3)[N+](=O)[O-])=O)C=3N=NC(=CC3)OC)=O)C(=CC=C1)F>>NC1=CC=C(C=C1)N1N=C2N(C(N(C(C2=C1CN(C)C)=O)C=1N=NC(=CC1)OC)=O)CC1=C(C=CC=C1F)F | 5 |
C(=O)C=O.C(CNCCNCCN)N>CCO[H]>N1CCN2C1C1N(CC2)CCN1 | 3 |
Br[C:2]1[CH:11]=[CH:10][C:5]([C:6]([O:8][CH3:9])=[O:7])=[CH:4][CH:3]=1.C(B(CC)[C:15]1[CH:16]=[N:17][CH:18]=[CH:19][CH:20]=1)C.[OH-].[K+].[Cl-].[NH4+]>O1CCCC1.[Br-].C([N+](CCCC)(CCCC)CCCC)CCC.C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)[P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.C(OCC)(=O)C.O>[N:17]1[CH:18]=[CH:19][CH:20]=[C:15]([C:2]2[CH:11]=[CH:10][C:5]([C:6]([O:8][CH3:9])=[O:7])=[CH:4][CH:3]=2)[CH:16]=1 | 1 |
BrC=1C=CC=C2C(N(C(NC12)=O)C1CCC1)=O>>BrC=1C=CC=C2C(N(C(=NC12)Cl)C1CCC1)=O | 5 |
C(C=C)(=O)Cl.[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)OC1=C(C(=CC=C1)F)C=1C=C2C(=NN=C(C2=CC1Cl)N1CCNCC1)Cl>ClCCl.CCN(CC)CC.C(O)([O-])=O.[Na+]>[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)OC1=C(C(=CC=C1)F)C=1C=C2C(=NN=C(C2=CC1Cl)N1CCN(CC1)C(C=C)=O)Cl | 3 |
N(C(OC(C)C)=O)=NC(OC(C)C)=O.[CH3:15][O:16][C:17](=[O:25])[C:18]1[CH:23]=[C:22]([OH:24])[CH:21]=[N:20][CH:19]=1.[F:26][C:27]1[CH:32]=[CH:31][C:30]([C:33]2[C:41]3[C:40]([CH2:42][CH2:43][CH2:44][CH2:45]O)=[N:39][CH:38]=[N:37][C:36]=3[S:35][CH:34]=2)=[CH:29][CH:28]=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1>O1CCCC1>[F:26][C:27]1[CH:28]=[CH:29][C:30]([C:33]2[C:41]3[C:40]([CH2:42][CH2:43][CH2:44][CH2:45][O:24][C:22]4[CH:21]=[N:20][CH:19]=[C:18]([CH:23]=4)[C:17]([O:16][CH3:15])=[O:25])=[N:39][CH:38]=[N:37][C:36]=3[S:35][CH:34]=2)=[CH:31][CH:32]=1 | 1 |
O1C(=CC=C1)/C=C/C(=O)O>C1CCCO1.CCN(CC)CC.C(C)(=O)OCC.C(O)([O-])=O.[Na+].C1=CC=C(C=C1)OP(=O)(N=[N+]=[N-])OC2=CC=CC=C2>O1C(=CC=C1)/C=C/C(=O)N=[N+]=[N-] | 3 |
C(O)C.[C:4]([O:8][C:9]([N:11]([CH2:23][C:24]([O:26][C:27]([CH3:30])([CH3:29])[CH3:28])=[O:25])[C:12]1[CH:17]=[CH:16][CH:15]=[C:14]([C:18](OCC)=[O:19])[N:13]=1)=[O:10])([CH3:7])([CH3:6])[CH3:5].[Cl-].[Ca+2].[Cl-].[BH4-].[Na+].COCCOCCOCCOCCOC>O.C(O)(=O)C>[C:27]([O:26][C:24](=[O:25])[CH2:23][N:11]([C:9]([O:8][C:4]([CH3:7])([CH3:6])[CH3:5])=[O:10])[C:12]1[CH:17]=[CH:16][CH:15]=[C:14]([CH2:18][OH:19])[N:13]=1)([CH3:30])([CH3:29])[CH3:28] | 2 |
OCC1=NC=CC(=C1C)OCC(F)(F)F>>Cl.ClCC1=NC=CC(=C1C)OCC(F)(F)F | 5 |
ClC=1SC=C(N1)C(=O)OCC.[BH4-].C(CCC)[N+](CCCC)(CCCC)CCCC.CC1(OB(OC1(C)C)C1=CC=C2CCCC(C2=C1)=O)C>>C(C)OC(=O)C=1N=C(SC1)C1=CC=2C(CCCC2C=C1)=O | 5 |
C[Si](C)(C)C#C.Cl\C(\C(C)(C)NC(OC(C)(C)C)=O)=N/O>>CC(C)(C1=NOC(=C1)[Si](C)(C)C)NC(OC(C)(C)C)=O | 5 |
[Br-].C[Mg+].C(C)(=O)OC[C@]12[C@H]3CC[C@@]4(C(CC[C@H]4[C@@H]3CC[C@H]2CC(CC1)=O)=O)C>C1CCCO1>C(C)(=O)OC[C@]12[C@H]3CC[C@@]4(C(CC[C@H]4[C@@H]3CC[C@H]2C[C@](CC1)(C)O)=O)C.C(C)(=O)OC[C@]12[C@H]3CC[C@@]4(C(CC[C@H]4[C@@H]3CC[C@H]2C[C@@](CC1)(C)O)=O)C | 3 |
[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)OC[C@@H]1N(CC(C1)=O)C(=O)OC(C)(C)C>O.C1CCCO1.C[Si](C)(C)[N-][Si](C)(C)C.[Na+].FC(S(=O)(=O)N(S(=O)(=O)C(F)(F)F)C1=NC=C(C=C1)Cl)(F)F>[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)OC[C@@H]1N(CC(=C1)OS(=O)(=O)C(F)(F)F)C(=O)OC(C)(C)C | 3 |
OCCOC1=CC=C2C3=C(NC2=C1)C(=NC=C3C3=C(C(=CC=C3)N3C=NC1=CC=CC=C1C3=O)C)C(=O)N>>CC1=C(C=CC=C1N1C=NC2=CC=CC=C2C1=O)C1=CN=C(C=2NC3=CC(=CC=C3C21)OCC=O)C(=O)N | 5 |
NC1=NC=2C=CC=CC2C2=C1N=C(N2CC2=CC(=CC=C2)CN2CCCC2)C(=O)OCC>CO[H]>NC1=NC=2C=CC=CC2C2=C1N=C(N2CC2=CC(=CC=C2)CN2CCCC2)C(=O)N | 3 |
C(#N)C(=C[C@H]1C([C@@H]1C(=O)O)(C)C)C.C(C=C)C1=C(C(=C(CO)C(=C1F)F)F)F>C(Cl)(Cl)(Cl)[H].C1(=CC=NC=C1)N(C)C.Cl.CN(CCCN=C=NCC)C>C(#N)C(=C[C@H]1C([C@@H]1C(=O)OCC1=C(C(=C(C(=C1F)F)CC=C)F)F)(C)C)C | 3 |
[CH3:1][O:2][C:3]1[CH:24]=[CH:23][C:6]([C:7]([NH:9][C:10]2[CH:15]=[CH:14][C:13]([NH:16][S:17]([CH3:20])(=[O:19])=[O:18])=[C:12]([O:21][CH3:22])[CH:11]=2)=[O:8])=[CH:5][C:4]=1[N+:25]([O-])=O.[CH3:28][S:29](Cl)(=[O:31])=[O:30].Cl.ClCCl>CO.[Pd].N1C=CC=CC=1>[CH3:1][O:2][C:3]1[CH:24]=[CH:23][C:6]([C:7]([NH:9][C:10]2[CH:15]=[CH:14][C:13]([NH:16][S:17]([CH3:20])(=[O:19])=[O:18])=[C:12]([O:21][CH3:22])[CH:11]=2)=[O:8])=[CH:5][C:4]=1[NH:25][S:29]([CH3:28])(=[O:31])=[O:30] | 1 |
[CH2:1]([O:3][C:4]1[CH:9]=[CH:8][N:7]=[CH:6][C:5]=1[NH:10][C:11]1[S:12][CH:13]=[C:14]([C:16]2[CH:21]=[CH:20][C:19]([C:22]3[CH2:23][CH2:24][NH:25][CH2:26][CH:27]=3)=[CH:18][CH:17]=2)[N:15]=1)[CH3:2].[C:28](O)(C(F)(F)F)=O.C=O.O.[BH3-]C#N.[Na+]>CO>[CH2:1]([O:3][C:4]1[CH:9]=[CH:8][N:7]=[CH:6][C:5]=1[NH:10][C:11]1[S:12][CH:13]=[C:14]([C:16]2[CH:21]=[CH:20][C:19]([C:22]3[CH2:23][CH2:24][N:25]([CH3:28])[CH2:26][CH:27]=3)=[CH:18][CH:17]=2)[N:15]=1)[CH3:2] | 2 |
FC(C(=O)Cl)F.N[C@@H]([C@H](O)C1=CC=C(C=C1)C1=CC(=NO1)CS(=O)(=O)C)CF>>FC(C(=O)N[C@@H]([C@@H](C1=CC=C(C=C1)C1=CC(=NO1)CS(=O)(=O)C)O)CF)F | 5 |
C1(CCC1)=O.Cl.CS(=O)(=O)C1=CC=C(N)C=C1>N(C)(C)C=O.C[Si](C)(C)C#N>CS(=O)(=O)C1=CC=C(N)C=C1.CS(=O)(=O)C1=CC=C(C=C1)NC1(CCC1)C#N | 3 |
[NH:1](C(OC(C)(C)C)=O)[C@H:2]([C:10]([N:12]([CH3:31])[C@H:13]([C:15]([NH:17][C@H:18]([C:27]([O:29][CH3:30])=[O:28])[CH2:19][C:20]1[CH:25]=[CH:24][C:23]([OH:26])=[CH:22][CH:21]=1)=[O:16])[CH3:14])=[O:11])[CH2:3][C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=1>C(OC(=O)C)C.Cl>[NH2:1][C@H:2]([C:10]([N:12]([CH3:31])[C@H:13]([C:15]([NH:17][C@H:18]([C:27]([O:29][CH3:30])=[O:28])[CH2:19][C:20]1[CH:25]=[CH:24][C:23]([OH:26])=[CH:22][CH:21]=1)=[O:16])[CH3:14])=[O:11])[CH2:3][C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=1 | 1 |
[N+:1]([C:4]1[CH:19]=[CH:18][C:17]([O:20][CH3:21])=[CH:16][C:5]=1[C:6]([NH:8][C:9]1[CH:14]=[CH:13][C:12]([Cl:15])=[CH:11][N:10]=1)=[O:7])([O-])=O.[H][H]>[C].[Pt].ClCCl>[NH2:1][C:4]1[CH:19]=[CH:18][C:17]([O:20][CH3:21])=[CH:16][C:5]=1[C:6]([NH:8][C:9]1[CH:14]=[CH:13][C:12]([Cl:15])=[CH:11][N:10]=1)=[O:7] | 1 |
C(C1=CC=CC=C1)(=O)N(C1=CC=CC=C1)C=1C=C(C=CC1)CC(=O)OC>CO[H].[OH-].[Na+]>C(C1=CC=CC=C1)(=O)N(C1=CC=CC=C1)C=1C=C(C=CC1)CC(=O)O | 3 |
C(C)OC(=O)C1=C(SC=2CN(CCC21)C(=O)OC(C)(C)C)N>CCO[H].[OH-].[Na+]>NC1=C(C2=C(CN(CC2)C(=O)OC(C)(C)C)S1)C(=O)O | 3 |
[OH:1][C:2]1[C:3]([O:19][CH3:20])=[C:4]([CH:16]=[CH:17][CH:18]=1)[CH:5]=[C:6]1[C:11](=[O:12])[O:10][C:9]([CH3:14])([CH3:13])[O:8][C:7]1=[O:15]>CO.[Pd]>[OH:1][C:2]1[C:3]([O:19][CH3:20])=[C:4]([CH:16]=[CH:17][CH:18]=1)[CH2:5][CH:6]1[C:11](=[O:12])[O:10][C:9]([CH3:13])([CH3:14])[O:8][C:7]1=[O:15] | 1 |
[CH3:1][C:2]1[O:3][CH:4]=[CH:5][C:6]=1[C:7](Cl)=[O:8].[NH2:10][C:11]1[CH:33]=[CH:32][C:14]([C:15]([N:17]2[CH2:23][C:22]3[CH:24]=[CH:25][CH:26]=[CH:27][C:21]=3[CH2:20][C:19]3[CH:28]=[CH:29][CH:30]=[CH:31][C:18]2=3)=[O:16])=[CH:13][CH:12]=1>>[CH:28]1[C:19]2[CH2:20][C:21]3[CH:27]=[CH:26][CH:25]=[CH:24][C:22]=3[CH2:23][N:17]([C:15]([C:14]3[CH:13]=[CH:12][C:11]([NH:10][C:7]([C:6]4[CH:5]=[CH:4][O:3][C:2]=4[CH3:1])=[O:8])=[CH:33][CH:32]=3)=[O:16])[C:18]=2[CH:31]=[CH:30][CH:29]=1 | 1 |
CON(C)[C:4]([C:6]1[N:7]=[CH:8][N:9]([C:11]2[CH:16]=[CH:15][CH:14]=[C:13]([C:17]3[C:18]([Cl:23])=[N:19][CH:20]=[CH:21][CH:22]=3)[CH:12]=2)[CH:10]=1)=[O:5].[S:25]1[CH:29]=[CH:28][N:27]=[CH:26]1>>[Cl:23][C:18]1[C:17]([C:13]2[CH:12]=[C:11]([N:9]3[CH:10]=[C:6]([C:4]([C:26]4[S:25][CH:29]=[CH:28][N:27]=4)=[O:5])[N:7]=[CH:8]3)[CH:16]=[CH:15][CH:14]=2)=[CH:22][CH:21]=[CH:20][N:19]=1 | 1 |
C(C)OC(C(C(C)C)Br)=O.C(C1=CC=CC=C1)OC1=CC=C(CN2C(NCC2)=O)C=C1>>C(C1=CC=CC=C1)OC1=CC=C(CN2C(N(CC2)C(C(=O)OCC)C(C)C)=O)C=C1 | 5 |
[CH2:1]([O:8][C:9]1[CH:14]=[CH:13][C:12]([CH2:15][CH2:16][C:17]([OH:25])([CH:22]([CH3:24])[CH3:23])[CH2:18][C:19]([OH:21])=[O:20])=[CH:11][CH:10]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.OS(O)(=O)=O.[CH3:31]O>>[CH3:31][O:20][C:19](=[O:21])[CH2:18][C:17]([CH2:16][CH2:15][C:12]1[CH:13]=[CH:14][C:9]([O:8][CH2:1][C:2]2[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=2)=[CH:10][CH:11]=1)([OH:25])[CH:22]([CH3:23])[CH3:24] | 1 |
C(C)(=O)O.C(=N)N.C(#N)C1=NC=C(C(=O)O)C=C1.C1(=C(C(=O)C(=C(C1=O)Cl)Cl)Cl)Cl.N1NN=NC=C1>>N1=NC(=NN=C1)C1=NC=C(C(=O)O)C=C1 | 5 |
C1COCCN1.C1(CCCC1)CC(C1=CC=C(C=C1)S(=O)(=O)C=C)C1=CC=2C(=NC=CC2)N1>>C1(CCCC1)CC(C1=CC=C(C=C1)S(=O)(=O)CCN1CCOCC1)C1=CC=2C(=NC=CC2)N1 | 3 |
C1(CCC1)N.N1N=CC2=CC(=CC=C12)NC1=NC(=NC2=CC=CC=C12)C=1C=C(OCC(=O)O)C=CC1>>N1N=CC2=CC(=CC=C12)NC1=NC(=NC2=CC=CC=C12)C=1C=C(OCC(=O)NC2CCC2)C=CC1 | 5 |
[Cu+2:1].[Cu+2].[Cu+2].[Cu+2].[Zn+2:5].[Zn+2].[Zn+2].[Zn+2].[Sn].Cl.[Tc:11]([O-])(=O)(=O)=O>>[Tc:11].[Cu+2:1].[Cu+2:1].[Cu+2:1].[Cu+2:1].[Zn+2:5].[Zn+2:5].[Zn+2:5].[Zn+2:5] | 1 |
[Cl:1][C:2]1[N:7]=[C:6]([C:8](O)=[O:9])[CH:5]=[CH:4][C:3]=1[O:11][CH2:12][C:13]([N:15]1[CH2:20][CH2:19][C:18]2[N:21]=[C:22]3[S:26][C:25]([CH3:27])=[N:24][N:23]3[C:17]=2[CH:16]1[C:28]1[CH:33]=[CH:32][C:31]([Cl:34])=[CH:30][C:29]=1[F:35])=[O:14].C(Cl)(=O)C(Cl)=O.CCN(C(C)C)C(C)C.Cl.[NH2:52][OH:53]>C1(C)C=CC=CC=1.CN(C=O)C>[Cl:1][C:2]1[N:7]=[C:6]([C:8]([NH:52][OH:53])=[O:9])[CH:5]=[CH:4][C:3]=1[O:11][CH2:12][C:13]([N:15]1[CH2:20][CH2:19][C:18]2[N:21]=[C:22]3[S:26][C:25]([CH3:27])=[N:24][N:23]3[C:17]=2[CH:16]1[C:28]1[CH:33]=[CH:32][C:31]([Cl:34])=[CH:30][C:29]=1[F:35])=[O:14] | 2 |
[NH2:1][C@@H:2]1[C:16](=[O:17])[N:15]2[CH2:18][C@H:19]([O:21][C:22]3[C:23]4[S:37][CH:36]=[CH:35][C:24]=4[N:25]=[C:26]([C:28]4[N:32]([CH3:33])[N:31]=[C:30]([CH3:34])[CH:29]=4)[N:27]=3)[CH2:20][C@H:14]2[C:13](=[O:38])[NH:12][C@:11]2([C:40]([O:42][CH3:43])=[O:41])[CH2:39][C@H:10]2[CH:9]=[CH:8][CH2:7][CH2:6][CH2:5][CH2:4][CH2:3]1.C(N(CC)CC)C.[C:51](=O)([O:57]C1C=CC([N+]([O-])=O)=CC=1)[O:52][CH:53]1[CH2:56][CH2:55][CH2:54]1.C(=O)(O)[O-].[Na+]>CC(N(C)C)=O>[CH:53]1([O:52][C:51]([NH:1][C@@H:2]2[C:16](=[O:17])[N:15]3[CH2:18][C@H:19]([O:21][C:22]4[C:23]5[S:37][CH:36]=[CH:35][C:24]=5[N:25]=[C:26]([C:28]5[N:32]([CH3:33])[N:31]=[C:30]([CH3:34])[CH:29]=5)[N:27]=4)[CH2:20][C@H:14]3[C:13](=[O:38])[NH:12][C@:11]3([C:40]([O:42][CH3:43])=[O:41])[CH2:39][C@H:10]3[CH:9]=[CH:8][CH2:7][CH2:6][CH2:5][CH2:4][CH2:3]2)=[O:57])[CH2:56][CH2:55][CH2:54]1 | 2 |
CC(C)(C)OC(=O)N[C@H](/C=C/C(=O)OC)CC(C)C>>CC(C)(C)OC(=O)N[C@H](/C=C/C(=O)O)CC(C)C | 5 |
[Br:1][C:2]1[CH:3]=[C:4]([CH:7]=[O:8])[S:5][CH:6]=1.[CH2:9]([OH:11])[CH3:10].[Cl-].[NH4+].C([O-])([O-])O[CH2:16][CH3:17]>>[Br:1][C:2]1[CH:3]=[C:4]([CH:7]([O:11][CH2:9][CH3:10])[O:8][CH2:16][CH3:17])[S:5][CH:6]=1 | 1 |
Cl[C:2]1[C:6]2[CH:7]=[CH:8][C:9]([O:11][CH2:12][C:13]3[CH:18]=[CH:17][C:16]([Cl:19])=[CH:15][C:14]=3[Cl:20])=[CH:10][C:5]=2[S:4][C:3]=1[C:21]([NH2:23])=[O:22].C1CCN2C(=NCCC2)CC1.C(N)(=[S:37])C>CN(C=O)C.Cl>[Cl:20][C:14]1[CH:15]=[C:16]([Cl:19])[CH:17]=[CH:18][C:13]=1[CH2:12][O:11][C:9]1[CH:8]=[CH:7][C:6]2[C:2]([SH:37])=[C:3]([C:21]([NH2:23])=[O:22])[S:4][C:5]=2[CH:10]=1 | 1 |
NC1=NC=C(C(=C1[N+](=O)[O-])Cl)Cl.OC=1C=C(C=CC1)NC(C=C)=O>N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+]>NC1=NC=C(C(=C1[N+](=O)[O-])OC=1C=C(C=CC1)NC(C=C)=O)Cl | 3 |
[OH:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]([C:12]2[CH:17]=[CH:16][C:15]([OH:18])=[CH:14][CH:13]=2)[C:9]([OH:11])=O)=[CH:4][CH:3]=1.CN(C)CCCN=C=NCC.Cl.C[O:32][C:33](=[O:36])[CH2:34][NH2:35].CN1CCOCC1>C(Cl)Cl.C(OCC)(=O)C.Cl.N1C=CC=CC=1.C1COCC1>[C:33]([CH2:34][NH:35][C:9](=[O:11])[CH:8]([C:5]1[CH:4]=[CH:3][C:2]([OH:1])=[CH:7][CH:6]=1)[C:12]1[CH:17]=[CH:16][C:15]([OH:18])=[CH:14][CH:13]=1)([OH:36])=[O:32] | 1 |
Br[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C([O-])=O.[Na+].[OH-].[Na+]>[Br-].C([N+](C)(C)C)CCCCCCCCCCCCCCC.[Pd].O>[C:2]1([C:2]2[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=2)[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 1 |
COC1=CC=C(CO)C=C1.ClC=1N=C(C2=C(N1)NC=C2)Cl>CC(C)(C)[O-].[K+].O1CCOCC1>ClC=1N=C(C2=C(N1)NC=C2)OCC2=CC=C(C=C2)OC | 3 |
C1(CCCCC1)N=C=O.ClC1=C(C=CC(=C1)Cl)S(=O)(=O)NCCCCNC[C@H](CC(C)C)NC(=O)NC1=CC=CC=C1>>ClC1=C(C=CC(=C1)Cl)S(=O)(=O)NCCCCN(C[C@H](CC(C)C)NC(=O)NC1=CC=CC=C1)C(=O)NC1CCCCC1 | 5 |
[Cl:1][CH2:2][C:3]([N:5]1[CH2:10][CH2:9][O:8][CH2:7][CH2:6]1)=[O:4].Cl.[CH3:12][O:13][C:14]1[CH:15]=[C:16]([C:22]2[C@@H:31]3[C@@H:26]([CH2:27][CH:28]=[CH:29][CH2:30]3)[C:25](=[O:32])[N:24]([CH:33]3[CH2:38][CH2:37][N:36](CC4C=C5C(C=CC(=O)O5)=CC=4)[CH2:35][CH2:34]3)[N:23]=2)[CH:17]=[CH:18][C:19]=1[O:20][CH3:21]>>[ClH:1].[CH3:12][O:13][C:14]1[CH:15]=[C:16]([C:22]2[C@@H:31]3[C@@H:26]([CH2:27][CH:28]=[CH:29][CH2:30]3)[C:25](=[O:32])[N:24]([CH:33]3[CH2:38][CH2:37][N:36]([CH2:2][C:3]([N:5]4[CH2:10][CH2:9][O:8][CH2:7][CH2:6]4)=[O:4])[CH2:35][CH2:34]3)[N:23]=2)[CH:17]=[CH:18][C:19]=1[O:20][CH3:21] | 1 |
C(C1=CC=CC=C1)[C@H]1N(CCN(C1)CC1=CC=CC=C1)C(=O)C=1N=CN(C1C1=CC=CC=C1)CC1N(CCCC1)C(=O)OC(C)(C)C>ClCCl.C(=O)(C(F)(F)F)O>C(C1=CC=CC=C1)[C@H]1N(CCN(C1)CC1=CC=CC=C1)C(=O)C=1N=CN(C1C1=CC=CC=C1)CC1NCCCC1 | 3 |
BrC1=CC(=C(C(=O)O)C=C1)Cl>N(C)(C)C=O.c1ccncc1.C(=O)(C=1NC=CN1)C=1NC=CN1>BrC1=CC(=C(C=C1)C1=NC2=C(N1)C=CC=C2C(=O)N)Cl | 3 |
IC1=CNC2=CN=CC=C21.ClC=1C=NC2=CC=C(C=C2C1)CCl>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>ClC=1C=NC2=CC=C(C=C2C1)CN1C=C(C=2C1=CN=CC2)I | 3 |
BrCCCO.C1CC12C1(OCCO1)CNC2>CC#N.C([O-])([O-])=O.[K+].[K+]>OCCCN1CC2(C3(CC3)C1)OCCO2 | 3 |
[C:1]([O:4][C:5]1[C:14]2[C:9](=[CH:10][CH:11]=[CH:12][CH:13]=2)[C:8]([O:15][C:16](=[O:18])[CH3:17])=[C:7]([Cl:19])[C:6]=1[O:20][C:21]1[CH:26]=[CH:25][C:24]([N+:27]([O-])=O)=[CH:23][CH:22]=1)(=[O:3])[CH3:2]>O1CCCC1.[Pd]>[C:1]([O:4][C:5]1[C:14]2[C:9](=[CH:10][CH:11]=[CH:12][CH:13]=2)[C:8]([O:15][C:16](=[O:18])[CH3:17])=[C:7]([Cl:19])[C:6]=1[O:20][C:21]1[CH:22]=[CH:23][C:24]([NH2:27])=[CH:25][CH:26]=1)(=[O:3])[CH3:2] | 1 |
[O:1]1[C:5]2[CH:6]=[CH:7][C:8]([C:10]([CH2:29][CH3:30])=[C:11]([C:22]3[CH:27]=[CH:26][C:25]([OH:28])=[CH:24][CH:23]=3)[C:12]3[CH:17]=[CH:16][C:15]([O:18][CH2:19][CH2:20]Cl)=[CH:14][CH:13]=3)=[CH:9][C:4]=2[N:3]=[CH:2]1.[CH3:31][NH2:32]>CO>[O:1]1[C:5]2[CH:6]=[CH:7][C:8]([C:10]([CH2:29][CH3:30])=[C:11]([C:22]3[CH:27]=[CH:26][C:25]([OH:28])=[CH:24][CH:23]=3)[C:12]3[CH:17]=[CH:16][C:15]([O:18][CH2:19][CH2:20][NH:32][CH3:31])=[CH:14][CH:13]=3)=[CH:9][C:4]=2[N:3]=[CH:2]1 | 1 |
C[Si](C)(C)Cl.C(CCCCC#C)(=O)O>>C[Si](C#CCCCCC(=O)O)(C)C | 5 |
FC=1C=C(C=CC1)CC(=O)O.NC(C(=O)OCC(C)C)CC>>C(C(C)C)OC(C(CC)NC(CC1=CC(=CC=C1)F)=O)=O | 3 |
CI.C1(=CC=CC=C1)N[C@@H](C)C(=O)OCC>>CN([C@@H](C)C(=O)OCC)C1=CC=CC=C1 | 5 |
C1(CC1)B(O)O.BrC=1C(N(N(C1C1CC1)C)C1=CC=CC=C1)=O>C1(=CC=CC=C1)C.O.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.P(=O)([O-])([O-])[O-].[K+].[K+].[K+].C1(CCCCC1)P(C1CCCCC1)C1CCCCC1>C1(CC1)C=1C(N(N(C1C1CC1)C)C1=CC=CC=C1)=O | 3 |
Cl[C:2]1[N:3]=[C:4]2[CH:20]=[C:19]([Cl:21])[CH:18]=[N:17][C:5]2=[N:6][C:7]=1[N:8]1[CH2:15][CH:14]2[CH:10]([CH2:11][N:12]([CH3:16])[CH2:13]2)[CH2:9]1.O.[NH2:23][NH2:24]>CCO>[Cl:21][C:19]1[CH:18]=[N:17][C:5]2=[N:6][C:7]([N:8]3[CH2:15][CH:14]4[CH:10]([CH2:11][N:12]([CH3:16])[CH2:13]4)[CH2:9]3)=[C:2]([NH:23][NH2:24])[N:3]=[C:4]2[CH:20]=1 | 2 |
S(Cl)(Cl)=O.[Br:5][CH2:6][C@@:7]([OH:12])([CH3:11])[C:8](O)=[O:9].CCN(CC)CC.[NH2:20][C:21]1[CH:22]=[CH:23][C:24]([C:31]#[N:32])=[C:25]([C:27]([F:30])([F:29])[F:28])[CH:26]=1>C1COCC1.O>[Br:5][CH2:6][C@@:7]([OH:12])([CH3:11])[C:8]([NH:20][C:21]1[CH:22]=[CH:23][C:24]([C:31]#[N:32])=[C:25]([C:27]([F:28])([F:29])[F:30])[CH:26]=1)=[O:9] | 1 |
[CH2:1]([O:5][C:6]1[C:7]2[C:14]([CH2:15][CH:16]=[CH:17][C:18]([NH2:20])=[O:19])=[CH:13][N:12](S(C3C=CC(C)=CC=3)(=O)=O)[C:8]=2[N:9]=[CH:10][N:11]=1)[CH:2]([CH3:4])[CH3:3].[OH-].[Li+].C(O)(=O)CC(CC(O)=O)(C(O)=O)O>O1CCOCC1>[CH2:1]([O:5][C:6]1[C:7]2[C:14]([CH2:15][CH:16]=[CH:17][C:18]([NH2:20])=[O:19])=[CH:13][NH:12][C:8]=2[N:9]=[CH:10][N:11]=1)[CH:2]([CH3:4])[CH3:3] | 2 |
ClS(=O)(=O)N=C=O.ClC1=CC=C(C=C1)C=1N(C(N(N1)CC=1C=C(C=CC1CO)C1=C(C(=CC=C1)Cl)Cl)=O)C[C@@H](C(F)(F)F)O>ClCCl>C(N)(OCC1=C(C=C(C=C1)C1=C(C(=CC=C1)Cl)Cl)CN1N=C(N(C1=O)C[C@@H](C(F)(F)F)O)C1=CC=C(C=C1)Cl)=O | 3 |
[NH2:1][CH2:2][C:3]1[C:4]([Cl:14])=[C:5]([CH:10]=[CH:11][C:12]=1[F:13])[C:6]([O:8][CH3:9])=[O:7].CCN(C(C)C)C(C)C.[C:24](Cl)(=[O:29])[C:25]([CH3:28])([CH3:27])[CH3:26]>C(Cl)Cl>[Cl:14][C:4]1[C:3]([CH2:2][NH:1][C:24](=[O:29])[C:25]([CH3:28])([CH3:27])[CH3:26])=[C:12]([F:13])[CH:11]=[CH:10][C:5]=1[C:6]([O:8][CH3:9])=[O:7] | 1 |
[CH3:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[NH:7][C:6](=[O:11])[CH:5]2[CH2:12][CH2:13][CH2:14][CH2:15]OS(C)(=O)=O.[Cl:21][C:22]1[CH:27]=[CH:26][C:25]([N:28]2[CH2:33][CH2:32][NH:31][CH2:30][CH2:29]2)=[CH:24][CH:23]=1>>[Cl:21][C:22]1[CH:23]=[CH:24][C:25]([N:28]2[CH2:33][CH2:32][N:31]([CH2:15][CH2:14][CH2:13][CH2:12][CH:5]3[C:4]4[C:8](=[CH:9][CH:10]=[C:2]([CH3:1])[CH:3]=4)[NH:7][C:6]3=[O:11])[CH2:30][CH2:29]2)=[CH:26][CH:27]=1 | 2 |
C(C)=O.C(C)(C)(C)OC(=O)N[C@@H]1CC[C@H](CC1)NC=1C(=C(C(=O)OC)C=C(C1)Cl)C>C(C)(=O)O.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+].ClCCCl>C(C)(C)(C)OC(=O)N[C@@H]1CC[C@H](CC1)N(C=1C(=C(C(=O)OC)C=C(C1)Cl)C)CC | 3 |
C(C=C)[Mg]Br.BrC1=CC=C(C=C1)N=C(C(F)(F)F)C1=C(C=CC=C1)C1CC1>ClCCl.[Cl-].[NH4+]>BrC1=CC=C(NC(C(F)(F)F)(CC=C)C2=C(C=CC=C2)C2CC2)C=C1 | 3 |
[OH:1][C:2]1[C:3](=[O:32])[C:4]([C:19]([NH:21][CH2:22][C:23]2[C:28]([F:29])=[CH:27][C:26]([F:30])=[CH:25][C:24]=2[F:31])=[O:20])=[CH:5][N:6]2[C:16]=1[C:15](=[O:17])[N:14]1[C@H:8]([O:9][C@H:10]3[CH2:18][C@@H:13]1[CH2:12][CH2:11]3)[CH2:7]2.[OH-].[Na+:34]>C(O)C>[O:17]=[C:15]1[N:14]2[C@H:8]([O:9][C@H:10]3[CH2:18][C@@H:13]2[CH2:12][CH2:11]3)[CH2:7][N:6]2[CH:5]=[C:4]([C:19](=[O:20])[NH:21][CH2:22][C:23]3[C:28]([F:29])=[CH:27][C:26]([F:30])=[CH:25][C:24]=3[F:31])[C:3](=[O:32])[C:2]([O-:1])=[C:16]12.[Na+:34] | 2 |
C1C=CC2=CC=CC=C12>N(C)(C)C=O.Cl.C=O.CC[O-].[Na+]>C1C=C(C2=CC=CC=C12)CC1=CCC2=CC=CC=C12 | 3 |
CC(C)(C)[S@](=O)N[C@H](C#C)C1=C(C(=CC=C1)C(F)(F)F)C>Cl.C(C)(=O)OCC>CC1=C(C=CC=C1C(F)(F)F)[C@@H](C#C)N | 3 |
[F:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[O:9][C:10]3[CH:20]=[C:19]([N:21]([CH3:26])[S:22]([CH3:25])(=[O:24])=[O:23])[C:18]([C:27]4[CH:32]=[CH:31][C:30]([CH2:33][CH2:34]O)=[C:29]([C:36]5[NH:37][C:38]6[C:43]([C:44]=5[CH3:45])=[CH:42][CH:41]=[CH:40][CH:39]=6)[N:28]=4)=[CH:17][C:11]=3[C:12]=2[C:13]([NH:15][CH3:16])=[O:14])=[CH:4][CH:3]=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.N(C(OC(C)C)=O)=NC(OC(C)C)=O>C1COCC1.CCOC(C)=O>[F:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[O:9][C:10]3[CH:20]=[C:19]([N:21]([CH3:26])[S:22]([CH3:25])(=[O:23])=[O:24])[C:18]([C:27]4[CH:32]=[CH:31][C:30]5[CH2:33][CH2:34][N:37]6[C:38]7[CH:39]=[CH:40][CH:41]=[CH:42][C:43]=7[C:44]([CH3:45])=[C:36]6[C:29]=5[N:28]=4)=[CH:17][C:11]=3[C:12]=2[C:13]([NH:15][CH3:16])=[O:14])=[CH:4][CH:3]=1 | 1 |
C(C1=CC=CC=C1)C1CCNCC1.O=CCCC1=NC2=C(N1CCC#N)C=CC=C2>C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+].ClCCCl>C(C1=CC=CC=C1)C1CCN(CC1)CCC(C)C1=NC2=C(N1CCC#N)C=CC=C2 | 3 |
O=P(Cl)(Cl)[Cl:3].[C:6]1([C:12]2[CH:13]=[C:14]3[C:19](=[N:20][C:21]=2[C:22]2[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=2)[N+:18]([O-])=[CH:17][CH:16]=[CH:15]3)[CH:11]=[CH:10][CH:9]=[CH:8][CH:7]=1.[C:29]1([C:35]2[C:44]([C:45]3[CH:50]=[CH:49][CH:48]=[CH:47][CH:46]=3)=[CH:43][C:42]3[C:37](=[N:38][CH:39]=[CH:40][CH:41]=3)[N+:36]=2[O-])[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=1.C([O-])([O-])=O.[Na+].[Na+]>>[Cl:3][C:17]1[N:18]=[C:19]2[C:14]([CH:13]=[C:12]([C:6]3[CH:11]=[CH:10][CH:9]=[CH:8][CH:7]=3)[C:21]([C:22]3[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=3)=[N:20]2)=[CH:15][CH:16]=1.[Cl:3][C:41]1[CH:40]=[CH:39][N:38]=[C:37]2[C:42]=1[CH:43]=[C:44]([C:45]1[CH:50]=[CH:49][CH:48]=[CH:47][CH:46]=1)[C:35]([C:29]1[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=1)=[N:36]2 | 1 |
CC(C)S(=O)(=O)Cl.Cl.CN1N=CC(=C1)C1=CC=2N(C(=N1)C=1C=NN(C1)C1(CNC1)CC#N)C=CN2>ClCCl.CCN(CC)CC>C(C)(C)S(=O)(=O)N1CC(C1)(N1N=CC(=C1)C1=NC(=CC=2N1C=CN2)C=2C=NN(C2)C)CC#N | 3 |
FC1=C(C#N)C=CC(=C1)C(C)(C=1N(C=NC1)C)N.COC=1C=C(C=CC1)S(=O)(=O)NCCC(=O)O>>C(#N)C1=C(C=C(C=C1)C(C)(C=1N(C=NC1)C)NC(CCNS(=O)(=O)C1=CC(=CC=C1)OC)=O)F | 5 |
Cl.N1C(C(=O)OC)CCCC1>N>N1C(CCCC1)C(=O)N | 3 |
[F:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]([F:11])([F:10])[F:9])=[CH:4][C:3]=1[N:12]=[C:13]=[O:14].C(N(CC)CC)C.[NH2:22][C:23]1[CH:28]=[CH:27][C:26]([C:29]2[C:30]([C:34]([NH2:36])=[O:35])=[CH:31][NH:32][CH:33]=2)=[CH:25][CH:24]=1>O1CCCC1.ClCCl>[F:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]([F:11])([F:10])[F:9])=[CH:4][C:3]=1[NH:12][C:13](=[O:14])[NH:22][C:23]1[CH:28]=[CH:27][C:26]([C:29]2[C:30]([C:34]([NH2:36])=[O:35])=[CH:31][NH:32][CH:33]=2)=[CH:25][CH:24]=1 | 1 |
ClC1=CC(=C(COC2=CC=CC(=N2)C2CCN(CC2)CC=2N(C(=CN2)C(=O)OC)C)C=C1)F>C1CCCO1.[H-].[Al+3].[Li+].[H-].[H-].[H-].O.O.O.O.O.O.O.O.O.O.S(=O)(=O)([O-])[O-].[Na+].[Na+]>ClC1=CC(=C(COC2=CC=CC(=N2)C2CCN(CC2)CC=2N(C(=CN2)CO)C)C=C1)F | 3 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.