smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C(C=C)(=O)Cl.C(C)(C)(C)OC(=O)N1CC(NCC1)C(N)=O>ClCCl.CCN(CC)CC.C(O)([O-])=O.[Na+]>C(C=C)(=O)N1C(CN(CC1)C(=O)OC(C)(C)C)C(N)=O | 3 |
[CH:1]1([C:4]([NH:6][C:7]2[N:8]=[C:9]3[CH:14]=[CH:13][C:12]([O:15][C:16]4[CH:17]=[C:18]([NH:22][C:23]([C:25]5[N:29]([CH3:30])[N:28]=[C:27]([CH3:31])[CH:26]=5)=[O:24])[CH:19]=[CH:20][CH:21]=4)=[CH:11][N:10]3[CH:32]=2)=[O:5])[CH2:3][CH2:2]1.O.[C:34]1([CH3:44])[CH:39]=[CH:38][C:37]([S:40]([OH:43])(=[O:42])=[O:41])=[CH:36][CH:35]=1>C(O)C.C(OCC)(=O)C>[C:34]1([CH3:44])[CH:35]=[CH:36][C:37]([S:40]([OH:43])(=[O:41])=[O:42])=[CH:38][CH:39]=1.[CH:1]1([C:4]([NH:6][C:7]2[N:8]=[C:9]3[CH:14]=[CH:13][C:12]([O:15][C:16]4[CH:17]=[C:18]([NH:22][C:23]([C:25]5[N:29]([CH3:30])[N:28]=[C:27]([CH3:31])[CH:26]=5)=[O:24])[CH:19]=[CH:20][CH:21]=4)=[CH:11][N:10]3[CH:32]=2)=[O:5])[CH2:3][CH2:2]1 | 1 |
NC=1C(=CC2=CC=CC=C2C1)C(=O)O.Cl.COC([C@@H](N)CC(C)C)=O>N(C)(C)C=O.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>NC=1C(=CC2=CC=CC=C2C1)C(=O)N[C@@H](CC(C)C)C(=O)OC | 3 |
[Cl:1][C:2]1[C:3]([C:14]2[N:18]([CH3:19])[C:17]3[CH:20]=[CH:21][CH:22]=[CH:23][C:16]=3[N:15]=2)=[N:4][C:5]([N:8]2[CH2:13][CH2:12][NH:11][CH2:10][CH2:9]2)=[N:6][CH:7]=1.CCN(CC)CC.[C:31](Cl)(=[O:33])[CH3:32].CO>ClCCl>[C:31]([N:11]1[CH2:10][CH2:9][N:8]([C:5]2[N:4]=[C:3]([C:14]3[N:18]([CH3:19])[C:17]4[CH:20]=[CH:21][CH:22]=[CH:23][C:16]=4[N:15]=3)[C:2]([Cl:1])=[CH:7][N:6]=2)[CH2:13][CH2:12]1)(=[O:33])[CH3:32] | 2 |
FC=1C=C(NC=2SC(=C(N2)C(=O)O)C)C=C(C1)F.NC(C#N)(C(C)C)C>CC#N.CCN(CC)CC.CCCP1(=O)OP(=O)(OP(=O)(O1)CCC)CCC>C(#N)C(C(C)C)(C)NC(=O)C=1N=C(SC1C)NC1=CC(=CC(=C1)F)F | 3 |
C(C)(=O)O.N1(C=NC=C1)CCCC=1C=C2CCC(NC2=CC1)=O>CO[H].Cl>Cl.N1(C=NC=C1)CCCC=1C=C2CCC(NC2=CC1)=O | 3 |
[N+:1]([C:4]1[CH:27]=[CH:26][C:7]([CH2:8][O:9][C:10]([C:12]2[N:13]=[C:14]([N:17]3[CH2:20][CH:19](OS(C)(=O)=O)[CH2:18]3)[S:15][CH:16]=2)=[O:11])=[CH:6][CH:5]=1)([O-:3])=[O:2].[C:28]([O-:31])(=[S:30])[CH3:29].[K+]>CN(C)C=O>[C:28]([S:30][CH:19]1[CH2:20][N:17]([C:14]2[S:15][CH:16]=[C:12]([C:10]([O:9][CH2:8][C:7]3[CH:26]=[CH:27][C:4]([N+:1]([O-:3])=[O:2])=[CH:5][CH:6]=3)=[O:11])[N:13]=2)[CH2:18]1)(=[O:31])[CH3:29] | 1 |
C(CC#N)#N.C(=O)C=1C=C(C(=O)OC)C=CC1.FC1=CC(=C(C=C1)C(C)=O)OCOC>>NC1=NC(=CC(=C1C#N)C=1C=C(C(=O)OC)C=CC1)C1=C(C=C(C=C1)F)OCOC | 5 |
COC=1C(=NC=CC1)[Sn](CCCC)(CCCC)CCCC.ClC=1C=C2C(=CNC(C2=CN1)=O)I>[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].O1CCOCC1>ClC=1C=C2C(=CNC(C2=CN1)=O)C1=NC=CC=C1OC | 3 |
C1(C2N=C(C3C4CCCCC=4SC=3NC(N3CCC[C@@H]3C(O)=O)=O)ON=2)CC1.[O:29]1[CH2:34][CH2:33][C:32](=O)[CH2:31][CH2:30]1.[CH3:36][C:37]1[N:38]=[C:39]([CH2:42][C:43]#[N:44])[O:40][CH:41]=1>>[CH3:36][C:37]1[N:38]=[C:39]([C:42](=[C:32]2[CH2:33][CH2:34][O:29][CH2:30][CH2:31]2)[C:43]#[N:44])[O:40][CH:41]=1 | 2 |
Cl[Si](C(C)C)(C(C)C)C(C)C.BrC1=NN=C(S1)CO>N(C)(C)C=O.c1cnc[nH]1>BrC=1SC(=NN1)CO[Si](C(C)C)(C(C)C)C(C)C | 3 |
[Cl:1][C:2]1[CH:3]=[C:4]([CH:9]2[CH:13](CO)[O:12][C:11](=[O:16])[CH2:10]2)[CH:5]=[CH:6][C:7]=1[Cl:8].[F:17][C:18]([F:32])([F:31])[C:19]1[CH:20]=[C:21]([CH:24]=[C:25]([C:27]([F:30])([F:29])[F:28])[CH:26]=1)[CH2:22]Br.CN([CH:36]=[O:37])C>CCCCCC.CCOC(C)=O>[F:17][C:18]([F:32])([F:31])[C:19]1[CH:20]=[C:21]([CH2:22][O:37][CH2:36][CH:10]2[CH:9]([C:4]3[CH:5]=[CH:6][C:7]([Cl:8])=[C:2]([Cl:1])[CH:3]=3)[CH2:13][O:12][C:11]2=[O:16])[CH:24]=[C:25]([C:27]([F:30])([F:29])[F:28])[CH:26]=1 | 1 |
N1C2C(=CC=C3C=2N=CC=C3)C=CC=1.C(=O)([O-])[O-].[Cs+].[Cs+].[Br:21][C:22]1[C:27]([CH3:28])=[CH:26][CH:25]=[CH:24][C:23]=1I.[O:30]1[CH2:34][CH2:33][CH:32]([OH:35])[CH2:31]1>[Cu]I.CCOC(C)=O>[Br:21][C:22]1[C:27]([CH3:28])=[CH:26][CH:25]=[CH:24][C:23]=1[O:35][CH:32]1[CH2:33][CH2:34][O:30][CH2:31]1 | 1 |
C(C)(C)(C)OP(=O)(CNCC1=CC=CC=C1)CC(C(=O)OC(C)(C)C)CCC(=O)OC(C)(C)C>ClCCl.C(=O)(C(F)(F)F)O>C(C1=CC=CC=C1)NCP(=O)(O)CC(C(=O)O)CCC(=O)O | 3 |
[Br-].C[Mg+].FC1(CC(CCC1)NC1=CC(=NC(=N1)N1N=C(C=C1C)C)C(=O)OCC)F>C1CCCO1.Cl>FC1(CC(CCC1)NC1=CC(=NC(=N1)N1N=C(C=C1C)C)C(C)(C)O)F | 3 |
CS(=O)(=O)NC1=CC2=C(NC(=NS2(=O)=O)CC(=O)O)C=C1.COC(=O)[C@@H]1[C@@H](CCCC1)NCC1=CC=C(C=C1)F>N(C)(C)C=O.Cl.CN(CCCN=C=NCC)C.CN1CCOCC1>COC(=O)[C@@H]1[C@@H](CCCC1)N(C(CC1=NS(C2=C(N1)C=CC(=C2)NS(=O)(=O)C)(=O)=O)=O)CC2=CC=C(C=C2)F | 3 |
C(C)(C)(C)[Si](C)(C)Cl.COC(C(CC1=CC=C(C=C1)O)NC(=O)C=1C=NC=CC1)=O>>COC(C(CC1=CC=C(C=C1)O[Si](C)(C)C(C)(C)C)NC(=O)C=1C=NC=CC1)=O | 5 |
[CH3:1][C:2]1[C:8](=[O:9])[C:7]2[N:10]3[C@@:14]([O:21][CH3:22])([C@H:15]([CH2:16][O:17][C:18]([NH2:20])=[O:19])[C:6]=2[C:4](=[O:5])[C:3]=1[O:24][CH3:25])[C@H:13]1[NH:23][C@H:12]1[CH2:11]3.[OH-].[K+].C(=O)=O>CN1CCC(O)C1.CCOCC.C(N(CC)CC)C.CC(C)=O>[C:18](=[O:17])([OH:19])[NH2:20].[OH:17][CH2:16][CH:15]1[C:6]2[C:4](=[O:5])[C:3]([O:24][CH:25]3[CH2:6][CH2:7][N:10]([CH3:14])[CH2:11]3)=[C:2]([CH3:1])[C:8](=[O:9])[C:7]=2[N:10]2[CH2:11][CH:12]3[NH:23][CH:13]3[C:14]12[O:21][CH3:22] | 1 |
[F:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]2[C:12]([CH2:13][O:14][C:15]3[N:20]=[N:19][C:18]([C:21]([OH:23])=O)=[CH:17][CH:16]=3)=[C:11]([CH3:24])[N:10]=[N:9]2)=[CH:4][CH:3]=1.[NH2:25][N:26]1[CH2:31][CH2:30][O:29][CH2:28][CH2:27]1>>[N:26]1([NH:25][C:21]([C:18]2[N:19]=[N:20][C:15]([O:14][CH2:13][C:12]3[N:8]([C:5]4[CH:4]=[CH:3][C:2]([F:1])=[CH:7][CH:6]=4)[N:9]=[N:10][C:11]=3[CH3:24])=[CH:16][CH:17]=2)=[O:23])[CH2:31][CH2:30][O:29][CH2:28][CH2:27]1 | 1 |
[CH2:1]([N:6]1[CH:10]=[CH:9][C:8]([N+:11]([O-])=O)=[N:7]1)[CH2:2][CH:3]([CH3:5])[CH3:4].N#N>C(O)C>[CH2:1]([N:6]1[CH:10]=[CH:9][C:8]([NH2:11])=[N:7]1)[CH2:2][CH:3]([CH3:5])[CH3:4] | 2 |
O.[OH-].[Li+].O.[F:5][C:6]1[CH:7]=[C:8]2[C:12](=[CH:13][CH:14]=1)[N:11]([C:15]1[C:24]3[C:19](=[CH:20][CH:21]=[CH:22][CH:23]=3)[N:18]=[CH:17][CH:16]=1)[CH:10]=[C:9]2[C:25]([O:27]C)=[O:26].Cl>O1CCCC1>[C:25]([C:9]1[C:8]2[C:12](=[CH:13][CH:14]=[C:6]([F:5])[CH:7]=2)[N:11]([C:15]2[C:24]3[C:19](=[CH:20][CH:21]=[CH:22][CH:23]=3)[N:18]=[CH:17][CH:16]=2)[CH:10]=1)([OH:27])=[O:26] | 1 |
Cl[C:2]([O:4][CH2:5][C:6]1[CH:11]=[CH:10][CH:9]=[CH:8][CH:7]=1)=[O:3].[NH:12]1[CH2:17][CH2:16][CH:15]([C:18]([O:20][CH2:21][CH3:22])=[O:19])[CH2:14][CH2:13]1.C(N(C(C)C)CC)(C)C.C(=O)([O-])O.[Na+]>C1COCC1>[N:12]1([C:2]([O:4][CH2:5][C:6]2[CH:11]=[CH:10][CH:9]=[CH:8][CH:7]=2)=[O:3])[CH2:17][CH2:16][CH:15]([C:18]([O:20][CH2:21][CH3:22])=[O:19])[CH2:14][CH2:13]1 | 2 |
[C:1]([OH:14])(=[O:13])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH3:12].O=C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.[OH-].[Na+]>>[CH3:12][CH2:11][CH2:10][CH2:9][CH2:8][CH2:7][CH2:6][CH2:5][C@@H:4]1[O:14][C:1](=[O:13])[CH2:2][CH2:3]1 | 1 |
[CH3:1][C:2]([O:7][C:8]1[CH:9]=[CH:10][C:11]([C:14]([C:16]2[CH:17]=[CH:18][C:19]([Cl:22])=[CH:20][CH:21]=2)=[O:15])=[CH:12][CH:13]=1)([C:4]([OH:6])=[O:5])[CH3:3].C(O[CH:27]([CH3:29])[CH3:28])(=O)C.C(=O)([O-])[O-].[K+].[K+].BrC(C)C>CS(C)=O>[CH3:28][CH:27]([O:5][C:4]([C:2]([O:7][C:8]1[CH:9]=[CH:10][C:11]([C:14]([C:16]2[CH:21]=[CH:20][C:19]([Cl:22])=[CH:18][CH:17]=2)=[O:15])=[CH:12][CH:13]=1)([CH3:1])[CH3:3])=[O:6])[CH3:29] | 1 |
Br[C:2]1[CH:7]=[CH:6][C:5]([C:8]([N:10]2[CH2:15][CH2:14][N:13]([C:16]3[C:21]([CH3:22])=[CH:20][C:19]([CH3:23])=[CH:18][N:17]=3)[CH2:12][CH2:11]2)=[O:9])=[C:4]([N:24]2[CH2:28][CH2:27][CH2:26][S:25]2(=[O:30])=[O:29])[CH:3]=1.C([N:34]1[CH2:38][CH2:37][NH:36][C:35]1=[O:39])(=O)C>>[CH3:22][C:21]1[C:16]([N:13]2[CH2:14][CH2:15][N:10]([C:8]([C:5]3[CH:6]=[CH:7][C:2]([N:34]4[CH2:38][CH2:37][NH:36][C:35]4=[O:39])=[CH:3][C:4]=3[N:24]3[CH2:28][CH2:27][CH2:26][S:25]3(=[O:30])=[O:29])=[O:9])[CH2:11][CH2:12]2)=[N:17][CH:18]=[C:19]([CH3:23])[CH:20]=1 | 1 |
C(C)OC(CC(=O)C)=O.OC1=C(C=CC(=C1)O)C>S(O)(O)(=O)=O>OC1=C(C=C2C(=CC(OC2=C1)=O)C)C | 3 |
ClC=1C2=C(N=CN1)N(C=C2C(O)C=2C=NC=C(C2)N=C(C2=CC=CC=C2)C2=CC=CC=C2)C>>ClC=1C2=C(N=CN1)N(C=C2C(=O)C=2C=NC=C(C2)N=C(C2=CC=CC=C2)C2=CC=CC=C2)C | 5 |
[Cl:1][C:2]1[CH:9]=[CH:8][C:5]([CH:6]=O)=[CH:4][CH:3]=1.[CH2:10]([O:12][P:13]([CH2:22][CH2:23][CH2:24][NH2:25])([CH:15]([O:19][CH2:20][CH3:21])[O:16][CH2:17][CH3:18])=[O:14])[CH3:11].C(O)(=O)C.C([BH3-])#N.[Na+]>CO>[CH2:10]([O:12][P:13]([CH2:22][CH2:23][CH2:24][NH:25][CH2:6][C:5]1[CH:8]=[CH:9][C:2]([Cl:1])=[CH:3][CH:4]=1)([CH:15]([O:19][CH2:20][CH3:21])[O:16][CH2:17][CH3:18])=[O:14])[CH3:11] | 1 |
[CH3:1][O:2][C:3](=[O:25])[C@@H:4]([N:9]1[CH2:13][C:12]([O:14][C:15]2[CH:20]=[CH:19][CH:18]=[C:17]([O:21]C)[C:16]=2[F:23])=[CH:11][C:10]1=[O:24])[CH2:5][CH:6]([CH3:8])[CH3:7].B(Br)(Br)Br.Cl>ClCCl>[CH3:1][O:2][C:3](=[O:25])[C@@H:4]([N:9]1[CH2:13][C:12]([O:14][C:15]2[CH:20]=[CH:19][CH:18]=[C:17]([OH:21])[C:16]=2[F:23])=[CH:11][C:10]1=[O:24])[CH2:5][CH:6]([CH3:8])[CH3:7] | 1 |
Cl.C(C)OC(CN)=O.IC1=CC=C(CBr)C=C1>N(C)(C)C=O.O>Cl.IC1=CC=C(CNCC(=O)OCC)C=C1 | 3 |
[Br:1][C:2]1[C:7]([OH:8])=[CH:6][CH:5]=[CH:4][N:3]=1.[H-].[Na+].[C:11]([NH2:14])(=[O:13])[CH3:12]>O1CCCC1>[Br:1][C:2]1[C:7]([O:8][CH2:12][C:11]([NH2:14])=[O:13])=[CH:6][CH:5]=[CH:4][N:3]=1 | 1 |
CN(CCNC(C)=O)C1CCN(CC1)C(CCC=1N(C=CN1)C)=O>>Cl.CN(CCNC(C)=O)C1CCN(CC1)C(CCC=1N(C=CN1)C)=O | 5 |
BrC=1SC2=C(N1)CCCC2C(=O)OC>O.C1CCCO1.CO[H].O[Li].O>BrC=1SC2=C(N1)CCCC2C(=O)O | 3 |
Cl.N[C@H](CCCCN)C(=O)O>C[SiH](N([Si](C)(C)C)C)C.C1(=CC=C(C=C1)C)C.C2=C(C=CC=C2C)C.C3=CC=CC(=C3C)C.Cl[Si](C)(C)C>C1CCNC(=O)[C@@H](C1)N | 3 |
N1C=C(C2=CC=CC=C12)C[C@H](C=1NC=C(N1)C1=CC=C(C=C1)F)NC(OC(C)(C)C)=O.CC1=NC(=NO1)C=O>>FC1=CC=C(C=C1)C=1N=C(NC1)[C@@H]1NC(C=2NC3=CC=CC=C3C2C1)C1=NOC(=N1)C | 5 |
CB1OB(OB(O1)C)C.ClC=1C=C(C=CC1)C=1C2=C(N=C(N1)C#N)C(=CN2C[C@@H]2CC[C@H](CC2)C)I>>ClC=1C=C(C=CC1)C=1C2=C(N=C(N1)C#N)C(=CN2C[C@@H]2CC[C@H](CC2)C)C | 5 |
Cl[Sn]Cl.O.CC1(C(N(C2=CC(=C(C=C12)NC(\C=C\C1=C(C=CC=C1)[N+](=O)[O-])=O)[N+](=O)[O-])CCCCC)=O)C>>NC1=C(C=C2C(C(N(C2=C1)CCCCC)=O)(C)C)NC(\C=C\C1=C(C=CC=C1)N)=O | 5 |
[CH2:1]([O:4][C:5]([N:7]1[CH2:11][CH2:10][CH2:9][C@H:8]1/[CH:12]=[C:13](\[CH3:58])/[C:14](=O)[CH2:15][C@H:16]1[N:19]([C:20](=P(C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)[C:21]([O:23][CH2:24][CH:25]=[CH2:26])=[O:22])[C:18](=[O:46])[C@@H:17]1[C@H:47]([O:49][Si:50]([C:53]([CH3:56])([CH3:55])[CH3:54])([CH3:52])[CH3:51])[CH3:48])=[O:6])[CH:2]=[CH2:3]>C1(C)C(C)=CC=CC=1>[CH2:1]([O:4][C:5]([N:7]1[CH2:11][CH2:10][CH2:9][C@H:8]1/[CH:12]=[C:13](/[C:14]1[CH2:15][C@H:16]2[N:19]([C:18](=[O:46])[C@@H:17]2[C@H:47]([O:49][Si:50]([C:53]([CH3:54])([CH3:56])[CH3:55])([CH3:51])[CH3:52])[CH3:48])[C:20]=1[C:21]([O:23][CH2:24][CH:25]=[CH2:26])=[O:22])\[CH3:58])=[O:6])[CH:2]=[CH2:3] | 1 |
C(#N)C1=CC=C(C=O)C=C1.Cl.C(C)(C)(C)OC(CCN)=O>ClCCl.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>C(C)(C)(C)OC(CCNCC1=CC=C(C=C1)C#N)=O | 3 |
C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.N1C=CN=C1.[I:25]I.[Cl:27][C:28]1[CH:29]=[C:30]([CH2:53]O)[CH:31]=[CH:32][C:33]=1[C:34]1[N:38]=[C:37]([C:39]2[N:40]=[C:41]3[C:46]([Cl:47])=[CH:45][C:44]([C:48]([F:51])([F:50])[F:49])=[CH:43][N:42]3[CH:52]=2)[O:36][N:35]=1>C(Cl)Cl>[Cl:27][C:28]1[CH:29]=[C:30]([CH2:53][I:25])[CH:31]=[CH:32][C:33]=1[C:34]1[N:38]=[C:37]([C:39]2[N:40]=[C:41]3[C:46]([Cl:47])=[CH:45][C:44]([C:48]([F:51])([F:50])[F:49])=[CH:43][N:42]3[CH:52]=2)[O:36][N:35]=1 | 2 |
C([O-])([O-])=O.[K+].[K+].[SH:7][C:8]1[N:22]=[CH:21][CH:20]=[CH:19][C:9]=1[C:10]([NH:12][CH2:13][C:14]1[S:15][CH:16]=[CH:17][CH:18]=1)=[O:11].Cl[CH2:24][CH2:25][S:26]([C:29]1[CH:34]=[CH:33][C:32]([F:35])=[CH:31][CH:30]=1)(=[O:28])=[O:27].C(Cl)Cl.CC(=O)OCC>CN(C=O)C>[F:35][C:32]1[CH:33]=[CH:34][C:29]([S:26]([CH2:25][CH2:24][S:7][C:8]2[N:22]=[CH:21][CH:20]=[CH:19][C:9]=2[C:10]([NH:12][CH2:13][C:14]2[S:15][CH:16]=[CH:17][CH:18]=2)=[O:11])(=[O:28])=[O:27])=[CH:30][CH:31]=1 | 1 |
CCOC(/N=N/C(OCC)=O)=O.[CH3:13][O:14][C:15]([C:17]1[S:18][CH:19]=[CH:20][C:21]=1[OH:22])=[O:16].[Cl:23][C:24]1[CH:29]=[CH:28][CH:27]=[CH:26][C:25]=1[CH:30](O)[CH3:31].C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1>C1COCC1>[Cl:23][C:24]1[CH:29]=[CH:28][CH:27]=[CH:26][C:25]=1[CH:30]([O:22][C:21]1[CH:20]=[CH:19][S:18][C:17]=1[C:15]([O:14][CH3:13])=[O:16])[CH3:31] | 1 |
C(C)(=O)OC(C)=O.C(C)OC=1C=C(C=CC1O)C(C(=O)O)O>>C(C)(=O)OC(C(=O)O)C1=CC(=C(C=C1)OC(C)=O)OCC | 5 |
C(OC(=O)[NH:7][C@H:8]([CH2:17][O:18][CH3:19])[C:9]([N:11]1[CH2:14][CH:13]([C:15]#[N:16])[CH2:12]1)=[O:10])(C)(C)C.[F:21][C:22]([F:27])([F:26])[C:23]([OH:25])=[O:24]>ClCCl>[F:21][C:22]([F:27])([F:26])[C:23]([OH:25])=[O:24].[NH2:7][C@H:8]([CH2:17][O:18][CH3:19])[C:9]([N:11]1[CH2:14][CH:13]([C:15]#[N:16])[CH2:12]1)=[O:10] | 1 |
O=CCNC(OC(C)(C)C)=O.NC=1C(=NON1)C1=NOC(N1C1=CC(=C(C=C1)F)Br)=O>C1CCCO1.C(=O)(C(F)(F)F)O.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>BrC=1C=C(C=CC1F)N1OC(N=C1C=1C(=NON1)NCCNC(OC(C)(C)C)=O)=O | 3 |
C(OCC)C.[CH3:6][S:7]([OH:10])(=[O:9])=[O:8].[NH2:11][C:12]1[C:13]2[C:14]3[C:15](=[N:27][N:28]([CH2:30][C:31]4[C:36]([Cl:37])=[C:35]([O:38][CH3:39])[C:34]([CH3:40])=[CH:33][N:32]=4)[N:29]=2)[CH:16]=[C:17]([CH2:22][C:23]([NH:25][CH3:26])=[O:24])[C:18]=3[CH2:19][S:20][N:21]=1>C(#N)C>[CH3:6][S:7]([OH:10])(=[O:9])=[O:8].[NH2:11][C:12]1[C:13]2[C:14]3[C:15](=[N:27][N:28]([CH2:30][C:31]4[C:36]([Cl:37])=[C:35]([O:38][CH3:39])[C:34]([CH3:40])=[CH:33][N:32]=4)[N:29]=2)[CH:16]=[C:17]([CH2:22][C:23]([NH:25][CH3:26])=[O:24])[C:18]=3[CH2:19][S:20][N:21]=1 | 1 |
NC=1C=CC=C2C(=C(C=NC12)C(=O)OCC)Cl.C(C)OC=C(C(=O)OCC)C(=O)C>C1(=CC=CC=C1)OC1=CC=CC=C1>C(C)(=O)C1C=NC2=C3N=CC(=C(C3=CC=C2C1=O)Cl)C(=O)OCC | 3 |
BrC1=CC(=C(C#N)C=C1)F.BrC=1C=C2C=CC(=CC2=CC1)O>N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+]>BrC1=CC=2C(=C3C(C4=CC=C(C=C4OC3=CC2)Br)=O)C=C1 | 3 |
C(C)O[C@@H]1CC[C@H](CC1)N1CCC(CC1)NC=1C=C(C#N)C=CC1[N+](=O)[O-]>O.[Fe].CCO[H].Cl>NC1=C(C=C(C#N)C=C1)NC1CCN(CC1)[C@@H]1CC[C@H](CC1)OCC | 3 |
C(C#C)(=O)OCC.FC1=CC=C(C=C1)I>>C(C)OC(C#CC1=CC=C(C=C1)F)=O | 3 |
[I:1][C:2]1[CH:10]=[C:6]([C:7]([OH:9])=O)[C:5]([OH:11])=[CH:4][CH:3]=1.[F:12][C:13]([F:26])([F:25])[C:14]1[CH:15]=[C:16]([CH:18]=[C:19]([C:21]([F:24])([F:23])[F:22])[CH:20]=1)[NH2:17]>>[F:12][C:13]([F:25])([F:26])[C:14]1[CH:15]=[C:16]([NH:17][C:7](=[O:9])[C:6]2[CH:10]=[C:2]([I:1])[CH:3]=[CH:4][C:5]=2[OH:11])[CH:18]=[C:19]([C:21]([F:22])([F:24])[F:23])[CH:20]=1 | 1 |
O=C1CCC(=O)N1O[C:9]([C:11]1[C:15]([CH3:16])=[C:14](/[CH:17]=[C:18]2\[C:19](=[O:39])[NH:20][C:21]3[C:26]\2=[CH:25][C:24]([S:27]([CH2:30][C:31]2[CH:36]=[C:35]([Cl:37])[CH:34]=[CH:33][C:32]=2[Cl:38])(=[O:29])=[O:28])=[CH:23][CH:22]=3)[NH:13][C:12]=1[CH3:40])=[O:10].FC(F)(F)C1C=C(CS(C2C=[C:59]3[C:63](=[CH:64]C=2)[NH:62][C:61](=O)[CH2:60]3)(=O)=O)C=C(C(F)(F)F)C=1>>[Cl:38][C:32]1[CH:33]=[CH:34][C:35]([Cl:37])=[CH:36][C:31]=1[CH2:30][S:27]([C:24]1[CH:25]=[C:26]2[C:21](=[CH:22][CH:23]=1)[NH:20][C:19](=[O:39])/[C:18]/2=[CH:17]\[C:14]1[NH:13][C:12]([CH3:40])=[C:11]([C:9]([N:62]2[CH2:61][CH2:60][CH2:59][C@H:63]2[CH2:64][N:13]2[CH2:14][CH2:15][CH2:11][CH2:12]2)=[O:10])[C:15]=1[CH3:16])(=[O:28])=[O:29] | 2 |
F[C:2]1[C:7]2[N:8]=[CH:9][N:10]([C@H:11]3[C@H:18]4[C@H:14]([O:15][C:16]([CH3:20])([CH3:19])[O:17]4)[C@@H:13]([CH3:21])[CH2:12]3)[C:6]=2[C:5]([F:22])=[CH:4][N:3]=1.F[C:24]1[C:29]2[N:30]([C@H:33]3[C@H:40]4[C@H:36]([O:37][C:38]([CH3:42])([CH3:41])[O:39]4)[C@@H:35]([CH3:43])[CH2:34]3)[CH:31]=[N:32][C:28]=2[C:27]([F:44])=[CH:26][N:25]=1>N>[F:22][C:5]1[C:6]2[N:10]([C@H:11]3[C@H:18]4[C@H:14]([O:15][C:16]([CH3:20])([CH3:19])[O:17]4)[C@@H:13]([CH3:21])[CH2:12]3)[CH:9]=[N:8][C:7]=2[C:2]([NH2:25])=[N:3][CH:4]=1.[F:44][C:27]1[C:28]2[N:32]=[CH:31][N:30]([C@H:33]3[C@H:40]4[C@H:36]([O:37][C:38]([CH3:42])([CH3:41])[O:39]4)[C@@H:35]([CH3:43])[CH2:34]3)[C:29]=2[C:24]([NH2:3])=[N:25][CH:26]=1 | 1 |
[H-].[Na+].[Br:3][C:4]1[CH:5]=[C:6]([CH2:17][C:18]([O:20][CH2:21][CH3:22])=[O:19])[CH:7]=[C:8]([Cl:16])[C:9]=1[O:10][CH2:11][C:12]([F:15])([F:14])[F:13].[CH:23]1([CH2:26]Br)[CH2:25][CH2:24]1>CN(C=O)C>[Br:3][C:4]1[CH:5]=[C:6]([CH:17]([CH2:26][CH:23]2[CH2:25][CH2:24]2)[C:18]([O:20][CH2:21][CH3:22])=[O:19])[CH:7]=[C:8]([Cl:16])[C:9]=1[O:10][CH2:11][C:12]([F:15])([F:13])[F:14] | 1 |
[F:1][C:2]([F:28])([C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][N:23]=1)[CH2:3][N:4](C(OC(C)(C)C)=O)[C:5]1[N:10]=[C:9]([CH2:11][C:12]([OH:14])=O)[CH:8]=[CH:7][CH:6]=1.[Cl:29][C:30]1[CH:31]=[CH:32][C:33]([N:38]2[CH:42]=[N:41][N:40]=[N:39]2)=[C:34]([CH:37]=1)[CH2:35][NH2:36]>>[F:28][C:2]([F:1])([C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][N:23]=1)[CH2:3][NH:4][C:5]1[N:10]=[C:9]([CH2:11][C:12]([NH:36][CH2:35][C:34]2[CH:37]=[C:30]([Cl:29])[CH:31]=[CH:32][C:33]=2[N:38]2[CH:42]=[N:41][N:40]=[N:39]2)=[O:14])[CH:8]=[CH:7][CH:6]=1 | 2 |
C(C)(C)(C)OC(NC1CN(CC1)C1=CC=NC2=CC=CC=C12)=O>>N1=CC=C(C2=CC=CC=C12)N1CC(CC1)N | 5 |
[CH:1](=[O:3])[CH3:2].[C:4]([O:7][C:8](=[O:10])[CH3:9])(=[O:6])[CH3:5]>>[C:1]([O:10][CH:8]([O:7][C:4](=[O:6])[CH3:5])[CH3:9])(=[O:3])[CH3:2] | 2 |
[Cl:1][C:2]1[CH:3]=[C:4]2[C:9](=O)[O:8][C:6](=[O:7])[C:5]2=[CH:11][CH:12]=1.O.[NH2:14][NH2:15]>C(O)(=O)C>[Cl:1][C:2]1[CH:3]=[C:4]2[C:5](=[CH:11][CH:12]=1)[C:6](=[O:7])[NH:15][NH:14][C:9]2=[O:8] | 1 |
C1(=CC=CC=C1)C1=C(C(=O)OCC)C=CC=N1>>C1(=CC=CC=C1)C1NCCCC1C(=O)OCC | 5 |
[SH:1][C:2]1[NH:3][C:4]2[CH:10]=[CH:9][CH:8]=[CH:7][C:5]=2[N:6]=1.[CH3:11][CH:12]1[S:16](=[O:18])(=[O:17])[O:15][CH2:14][CH2:13]1>O1CCOCC1.O>[NH:3]1[C:4]2[CH:10]=[CH:9][CH:8]=[CH:7][C:5]=2[N:6]=[C:2]1[S:1][CH2:14][CH2:13][CH:12]([S:16]([OH:18])(=[O:17])=[O:15])[CH3:11] | 1 |
C(C)OC(CBr)OCC.FC(C1=C(C=CC=C1)S)(F)F>>FC(C1=CC=CC2=C1SC=C2)(F)F | 5 |
C(C)(C)(C)C1=CC(=C(C(=O)O)C=C1)CNC1=C(C(=CC=C1)C=1N=C(C(N(C1)C)=O)NC1=CC=C(C=C1)C(=O)N1CCOCC1)C>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1C=CC=C2)O[P+](N(C)C)(N(C)C)N(C)C>C(C)(C)(C)C=1C=C2CN(C(C2=CC1)=O)C1=C(C(=CC=C1)C=1N=C(C(N(C1)C)=O)NC1=CC=C(C=C1)C(=O)N1CCOCC1)C | 3 |
ClC1=NC=C(C(=N1)NC[C@H]1CN(CCC1)C(=O)OC(C)(C)C)C#CC1=C(C=CC=C1)Cl>>ClC=1N=CC2=C(N1)N(C(=C2)C2=C(C=CC=C2)Cl)C[C@H]2CN(CCC2)C(=O)OC(C)(C)C | 5 |
CN1N=C2C(=CC(=CC2=C1)C(=O)OC)C>>CN1N=C2C(=CC(=CC2=C1)C(=O)O)C | 5 |
[C-]#N.[Na+].C(C)(C)C(C1=CC(OC)=C(OC)C=C1)Cl>O.CCN(CC)CC.[OH-].[Na+]>COC=1C=C(C=CC1OC)C(C#N)C(C)C | 3 |
[CH3:1]C(C)([O-])C.[K+].C[C:8](P(OC)(O)=O)([C:10]([O-:12])=[O:11])[CH3:9].[S:18]1[CH:22]=[CH:21][C:20](C=O)=[CH:19]1>C1COCC1>[S:18]1[CH:22]=[CH:21][C:20]([CH:9]=[CH:8][C:10]([O:12][CH3:1])=[O:11])=[CH:19]1 | 1 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([S:8]([N:11]([C:22]2[CH:27]=[C:26]([Cl:28])[CH:25]=[CH:24][C:23]=2[CH2:29][OH:30])[C@H:12]([CH3:21])[CH2:13][CH2:14][CH2:15][S:16]([NH:19]C)(=[O:18])=[O:17])(=[O:10])=[O:9])=[CH:4][CH:3]=1.C(S(Cl)(=O)=O)CCCC.N>>[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([S:8]([N:11]([C:22]2[CH:27]=[C:26]([Cl:28])[CH:25]=[CH:24][C:23]=2[CH2:29][OH:30])[C@H:12]([CH3:21])[CH2:13][CH2:14][CH2:15][S:16]([NH2:19])(=[O:17])=[O:18])(=[O:9])=[O:10])=[CH:4][CH:3]=1 | 1 |
[CH3:1][C:2]1[CH:7]=[CH:6][C:5]([S:8]([N:11]2[CH2:15][CH:14]([CH2:16][O:17][C:18]3[CH:33]=[CH:32][C:21]([C:22]([O:24]CC4C=CC=CC=4)=[O:23])=[CH:20][CH:19]=3)[O:13][C:12]2=[O:34])(=[O:10])=[O:9])=[CH:4][CH:3]=1.C(N1CC(COC2C=CC(C(OCC3C=CC=CC=3)=O)=CC=2)OC1=O)(=O)C1C=CC=CC=1>>[CH3:1][C:2]1[CH:7]=[CH:6][C:5]([S:8]([N:11]2[CH2:15][CH:14]([CH2:16][O:17][C:18]3[CH:19]=[CH:20][C:21]([C:22]([OH:24])=[O:23])=[CH:32][CH:33]=3)[O:13][C:12]2=[O:34])(=[O:9])=[O:10])=[CH:4][CH:3]=1 | 1 |
C([N:4]1[CH2:10][CH:9]([C:11]2[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=2)[C:8]2[CH:17]=[C:18]([O:27]C(=O)C)[C:19]([O:23]C(=O)C)=[C:20]([S:21][CH3:22])[C:7]=2[CH2:6][CH2:5]1)(=O)C.C(OC(=O)C)(=[O:33])C.I([O-])(=O)(=O)=O.[Na+]>N1C=CC=CC=1.CO>[OH:23][C:19]1[C:18]([OH:27])=[CH:17][C:8]2[CH:9]([C:11]3[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=3)[CH2:10][NH:4][CH2:5][CH2:6][C:7]=2[C:20]=1[S:21]([CH3:22])=[O:33] | 1 |
C1(=CC=CC=C1)C1=C(C(=C(C1=O)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1.C(C1=CC=CC=C1)(=O)C#CC(C1=CC=CC=C1)=O>C(C1=CC=CC=C1)(=O)C1=CC=CC=C1>C(C1=CC=CC=C1)(=O)C1=C(C(=C(C(=C1C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1)C(C1=CC=CC=C1)=O | 3 |
N([O-])=O.[Na+].Cl.N[C:7]1[C:8]([Cl:18])=[C:9]([C:13]([Cl:17])=[CH:14][C:15]=1[Br:16])[C:10]([OH:12])=[O:11].[PH2](O)=O>>[Br:16][C:15]1[CH:7]=[C:8]([Cl:18])[C:9]([C:10]([OH:12])=[O:11])=[C:13]([Cl:17])[CH:14]=1 | 1 |
[C:1]([O:5][C:6](=[O:18])[CH2:7][N:8]1[C:16]2[C:11](=[CH:12][CH:13]=[C:14]([OH:17])[CH:15]=2)[CH:10]=[CH:9]1)([CH3:4])([CH3:3])[CH3:2].[Cl:19][C:20]1[CH:25]=[CH:24][C:23]([C:26]2[CH:27]=[C:28]([CH2:32]O)[N:29]([CH3:31])[N:30]=2)=[CH:22][CH:21]=1.CN(C)C(N=NC(N(C)C)=O)=O.C(P(CCCC)CCCC)CCC>>[C:1]([O:5][C:6](=[O:18])[CH2:7][N:8]1[C:16]2[C:11](=[CH:12][CH:13]=[C:14]([O:17][CH2:32][C:28]3[N:29]([CH3:31])[N:30]=[C:26]([C:23]4[CH:24]=[CH:25][C:20]([Cl:19])=[CH:21][CH:22]=4)[CH:27]=3)[CH:15]=2)[CH:10]=[CH:9]1)([CH3:4])([CH3:2])[CH3:3] | 1 |
C(C)(C)(C)OC(=O)N(C1C=2C=CC(=NC2CCC1)C(=O)OCC)CCC1=C(C=CC=C1)OCC1=CC=C(C=C1)C=1OC2=C(N1)C=C(C=C2)C>CCO[H].[Pd].C(=O)[O-].[NH4+]>C(C)(C)(C)OC(=O)N(C1C=2C=CC(=NC2CCC1)C(=O)OCC)CCC1=C(C=CC=C1)O | 3 |
C(C)(C)(C)OC(=O)N1C(CC(C1)O[Si](C)(C)C(C)(C)C)CCNC(=O)OCC1=CC=CC=C1>>C(C)(C)(C)OC(=O)N1C(CC(C1)O)CCNC(=O)OCC1=CC=CC=C1 | 5 |
[C:1]([O:5][C:6]([NH:8][CH2:9][C:10]1[CH:11]=[C:12]([CH:23]=[CH:24][CH:25]=1)[C:13]([O:15]N1C(=O)CCC1=O)=O)=[O:7])([CH3:4])([CH3:3])[CH3:2].Cl.[Cl:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][O:34][CH2:35][CH2:36][O:37][CH2:38][CH2:39][NH2:40].C(N(CC)C(C)C)(C)C>CN(C=O)C.C(Cl)Cl>[Cl:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][O:34][CH2:35][CH2:36][O:37][CH2:38][CH2:39][NH:40][C:13]([C:12]1[CH:11]=[C:10]([CH:25]=[CH:24][CH:23]=1)[CH2:9][NH:8][C:6](=[O:7])[O:5][C:1]([CH3:2])([CH3:3])[CH3:4])=[O:15] | 2 |
COC1=NC=C(C=N1)B(O)O.FC(S(=O)(=O)OC1=NN(C(=C1C)N)C1=CC=CC=C1)(F)F>>COC1=NC=C(C=N1)C1=NN(C(=C1C)N)C1=CC=CC=C1 | 5 |
COC(=O)C=1C=C(C=CC1)B(O)O.BrC1=CC2=CC(=CC=C2C=C1)Br>>C1=C(C=CC2=CC=C(C=C12)C=1C=C(C(=O)OC)C=CC1)C=1C=C(C(=O)OC)C=CC1 | 5 |
C(C)(C)(C)OC(=O)N[C@H](C(=O)OC)CN1CCC(CC1)C(F)(F)F>C1CCCO1.CC(C)C[AlH]CC(C)C.CCCCCC.CCCC(C)C.CCC(C)CC>OC[C@H](CN1CCC(CC1)C(F)(F)F)NC(OC(C)(C)C)=O | 3 |
P(Br)(Br)[Br:2].[Br:5][C:6]1[C:7]([O:15][CH3:16])=[CH:8][C:9]([F:14])=[C:10]([CH2:12]O)[CH:11]=1.C([O-])(O)=O.[Na+]>C(Cl)Cl>[Br:5][C:6]1[CH:11]=[C:10]([CH2:12][Br:2])[C:9]([F:14])=[CH:8][C:7]=1[O:15][CH3:16] | 1 |
[Cl:1][C:2]1[N:10]=[CH:9][N:8]=[C:7]2[C:3]=1[NH:4][CH:5]=[N:6]2.O[CH2:12][CH2:13]/[CH:14]=[CH:15]/[P:16](=[O:25])([O:21][CH:22]([CH3:24])[CH3:23])[O:17][CH:18]([CH3:20])[CH3:19].C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.N(C(OCC)=O)=NC(OCC)=O>O1CCCC1>[Cl:1][C:2]1[N:10]=[CH:9][N:8]=[C:7]2[C:3]=1[N:4]=[CH:5][N:6]2[CH2:12][CH2:13]/[CH:14]=[CH:15]/[P:16]([O:21][CH:22]([CH3:23])[CH3:24])([O:17][CH:18]([CH3:19])[CH3:20])=[O:25] | 1 |
ClC(=O)OC1=CC=CC=C1.CC(CN1CCOCC1)(C)C1=CC(=NO1)N>>CC(CN1CCOCC1)(C)C1=CC(=NO1)NC(OC1=CC=CC=C1)=O | 5 |
C(C1=CC=CC=C1)OCCC[C@@H](CC(=O)OC(C)(C)C)C1=NOC(=C1C1OB(OC1)C1=CC=CC=C1)C1=NOC(=C1)C(C(C)(C)C)=O>>C(C1=CC=CC=C1)OCCC[C@@H](CC(=O)OC(C)(C)C)C1=NOC(=C1C=O)C1=NOC(=C1)C(C(C)(C)C)=O | 5 |
CI.CC=1C(=C2CCC(NC2=CC1)=O)CC=C>>CN1C(CCC2=C(C(=CC=C12)C)CC=C)=O | 5 |
ClC=1C=2N(C=C(N1)C=1C=NN(C1)C)N=C(C2)C(=O)OCC.O[C@H]1C[C@H](C1)N(C(OC(C)(C)C)=O)C>CC(C)(C)[O-].[K+].O.C1CCCO1.CS(=O)C>C(C)(C)(C)OC(=O)N([C@H]1C[C@H](C1)OC=1C=2N(C=C(N1)C=1C=NN(C1)C)N=C(C2)C(=O)O[C@@H]2C[C@@H](C2)N(C)C(=O)OC(C)(C)C)C | 3 |
[CH3:1][O:2][CH2:3][CH2:4][O:5][CH2:6][CH2:7][O:8][CH2:9][CH2:10][O:11][CH2:12][C:13]([OH:15])=[O:14].[OH-].C([N+](CCCC)(CCCC)CCCC)CCC.Cl[CH:35]([O:37][C:38](=[O:64])[N:39]([C:48]1[CH:53]=[CH:52][C:51]([C:54](=[O:62])[C:55]2[CH:60]=[CH:59][CH:58]=[CH:57][C:56]=2[CH3:61])=[C:50]([Cl:63])[CH:49]=1)[C:40]1[CH:45]=[CH:44][C:43]([F:46])=[CH:42][C:41]=1[CH3:47])[CH3:36].O>CC(C)=O.CN(C=O)C.CCOC(C)=O>[Cl:63][C:50]1[CH:49]=[C:48]([N:39]([C:40]2[CH:45]=[CH:44][C:43]([F:46])=[CH:42][C:41]=2[CH3:47])[C:38]([O:37][CH:35]([O:14][C:13](=[O:15])[CH2:12][O:11][CH2:10][CH2:9][O:8][CH2:7][CH2:6][O:5][CH2:4][CH2:3][O:2][CH3:1])[CH3:36])=[O:64])[CH:53]=[CH:52][C:51]=1[C:54](=[O:62])[C:55]1[CH:60]=[CH:59][CH:58]=[CH:57][C:56]=1[CH3:61] | 2 |
[CH3:1][O:2][C:3]1[CH:4]=[CH:5][C:6]([NH:9][C:10]([NH2:12])=[S:11])=[N:7][CH:8]=1.[O:13]1[C:17]2[CH:18]=[CH:19][CH:20]=[CH:21][C:16]=2[CH:15]=[C:14]1[C:22](=O)[CH2:23]Br>>[O:13]1[C:17]2=[CH:18][CH:19]=[CH:20][C:21]2=[CH:16][CH:15]=[C:14]1[C:22]1[N:12]=[C:10]([NH:9][C:6]2[CH:5]=[CH:4][C:3]([O:2][CH3:1])=[CH:8][N:7]=2)[S:11][CH:23]=1 | 2 |
C(C)(C)(C)[Si](OCCC(CCO)(C)C)(C)C>ClCCl.C(C(=O)Cl)(=O)Cl.CS(=O)C.C(C)(C)N(C(C)C)CC>C(C)(C)(C)[Si](OCCC(CC=O)(C)C)(C)C | 3 |
[OH-].[K+].[CH3:3][O:4][C:5](=[CH:10][C:11]1[CH:16]=[CH:15][CH:14]=[C:13]([N+:17]([O-:19])=[O:18])[CH:12]=1)[C:6]([O:8]C)=[O:7]>O.CO>[CH3:3][O:4][C:5](=[CH:10][C:11]1[CH:16]=[CH:15][CH:14]=[C:13]([N+:17]([O-:19])=[O:18])[CH:12]=1)[C:6]([OH:8])=[O:7] | 1 |
[O:1]=[C:2]1[CH:10]2[CH:5]([CH2:6][C:7](O[Si](C)(C)C)=[C:8](O[Si](C)(C)C)[CH2:9]2)[C:4](=[O:21])[NH:3]1.[Cl:22][C:23]1[CH:28]=[CH:27][C:26]([NH:29][NH2:30])=[CH:25][CH:24]=1>CO.C(O)(=O)C>[Cl:22][C:23]1[CH:28]=[CH:27][C:26]([N:29]=[N:30][C:7]2[CH2:6][CH:5]3[CH:10]([CH2:9][C:8]=2[NH:30][NH:29][C:26]2[CH:27]=[CH:28][C:23]([Cl:22])=[CH:24][CH:25]=2)[C:2](=[O:1])[NH:3][C:4]3=[O:21])=[CH:25][CH:24]=1 | 1 |
C[Sn](C)(C)C.COC(=O)C=1C(=C2C=C(C(N(C2=C(N1)Br)CC1=CC=CC=C1)=O)C1=CC=CC=C1)O>>COC(=O)C=1C(=C2C=C(C(N(C2=C(N1)C)CC1=CC=CC=C1)=O)C1=CC=CC=C1)O | 5 |
[F:1][C:2]([F:15])([C:11]([F:14])([F:13])[F:12])[CH2:3][CH2:4][CH2:5][S:6][CH2:7][CH2:8][CH2:9]I.[CH3:16][NH2:17]>C(O)C>[CH3:16][NH:17][CH2:9][CH2:8][CH2:7][S:6][CH2:5][CH2:4][CH2:3][C:2]([F:15])([F:1])[C:11]([F:14])([F:13])[F:12] | 2 |
[N+](C1C=C(S(O)(=O)=O)C(C)=CC=1)([O-])=O.[N+:15]([C:18]1[CH:19]=[C:20]([S:39]([OH:42])(=[O:41])=[O:40])[C:21]([CH:24]=[CH:25][C:26]2[C:27]([S:35]([OH:38])(=[O:37])=[O:36])=[CH:28][C:29]([N+:32]([O-])=O)=[CH:30][CH:31]=2)=[CH:22][CH:23]=1)([O-])=O.O=O>>[NH2:15][C:18]1[CH:19]=[C:20]([S:39]([OH:42])(=[O:41])=[O:40])[C:21]([CH:24]=[CH:25][C:26]2[C:27]([S:35]([OH:38])(=[O:37])=[O:36])=[CH:28][C:29]([NH2:32])=[CH:30][CH:31]=2)=[CH:22][CH:23]=1 | 1 |
C(C)(C)(C)OC(=O)N(C)CCO.FC1=C(C=CC=C1)S(=O)(=O)N1C=CC2=C(C=CC=C12)O>>C(C)(C)(C)OC(N(C)CCOC1=C2C=CN(C2=CC=C1)S(=O)(=O)C1=C(C=CC=C1)F)=O | 5 |
[Cl:1][C:2]1[C:3]([NH:23][C:24]2[CH:28]=[C:27]([CH3:29])[NH:26][N:25]=2)=[N:4][C:5]([NH:8][C:9]2[CH:14]=[C:13]([CH3:15])[C:12]([CH:16]3[CH2:21][CH2:20][CH2:19][CH2:18][NH:17]3)=[CH:11][C:10]=2[CH3:22])=[N:6][CH:7]=1.C(N(CC)CC)C.Br[CH2:38][C:39]([NH2:41])=[O:40]>CN(C=O)C>[Cl:1][C:2]1[C:3]([NH:23][C:24]2[CH:28]=[C:27]([CH3:29])[NH:26][N:25]=2)=[N:4][C:5]([NH:8][C:9]2[C:10]([CH3:22])=[CH:11][C:12]([CH:16]3[CH2:21][CH2:20][CH2:19][CH2:18][N:17]3[CH2:38][C:39]([NH2:41])=[O:40])=[C:13]([CH3:15])[CH:14]=2)=[N:6][CH:7]=1 | 1 |
C(O[C:6](=O)[N:7](C)[C@@H:8]([C:20](=[O:31])[N:21]([CH3:30])[CH2:22][CH2:23][C:24]1[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=1)[CH2:9][C:10]1[CH:19]=[CH:18][C:17]2[C:12](=[CH:13][CH:14]=[CH:15][CH:16]=2)[CH:11]=1)(C)(C)C.FC(F)(F)C(O)=O>ClCCl>[CH3:30][N:21]([CH2:22][CH2:23][C:24]1[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=1)[C:20](=[O:31])[C@H:8]([NH:7][CH3:6])[CH2:9][C:10]1[CH:19]=[CH:18][C:17]2[C:12](=[CH:13][CH:14]=[CH:15][CH:16]=2)[CH:11]=1 | 1 |
FC=1C=C(C(=NC1)C#N)[N+](=O)[O-]>ClS(Cl)=O.CCO[H].[Sn](Cl)Cl>NC=1C(=NC=C(C1)F)C(=O)OC | 3 |
[CH2:1]([S:8][C:9]1[N:14]=[C:13]([O:15]C)[C:12]([O:17]C)=[CH:11][CH:10]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.B(Br)(Br)Br.O>ClCCl>[CH2:1]([S:8][C:9]1[NH:14][C:13](=[O:15])[C:12]([OH:17])=[CH:11][CH:10]=1)[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1 | 1 |
[Br:1][C:2]1[CH:29]=[CH:28][C:5]([CH2:6][O:7][C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][C:9]=2[CH2:14][CH2:15][NH:16][CH2:17][C:18]2[CH:27]=[CH:26][C:21]([C:22]([O:24][CH3:25])=[O:23])=[CH:20][CH:19]=2)=[CH:4][CH:3]=1.Br[CH2:31][CH2:32][C:33]1[CH:40]=[CH:39][C:36]([C:37]#[N:38])=[CH:35][CH:34]=1.C(=O)([O-])[O-].[Na+].[Na+]>C(#N)C>[Br:1][C:2]1[CH:3]=[CH:4][C:5]([CH2:6][O:7][C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][C:9]=2[CH2:14][CH2:15][N:16]([CH2:17][C:18]2[CH:19]=[CH:20][C:21]([C:22]([O:24][CH3:25])=[O:23])=[CH:26][CH:27]=2)[CH2:31][CH2:32][C:33]2[CH:40]=[CH:39][C:36]([C:37]#[N:38])=[CH:35][CH:34]=2)=[CH:28][CH:29]=1 | 1 |
C(C)OC(CC1CCC2(OCCO2)CC1)=O>C1CCCO1.[H-].[Al+3].[Li+].[H-].[H-].[H-]>O1CCOC12CCC(CC2)CCO | 3 |
[C:1]1(B(O)O)[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[CH:4]=[CH:3][CH:2]=1.CCCCCC.[C:20]([O:23][CH2:24][CH3:25])(=[O:22])[CH3:21]>>[C:1]1([CH2:21][C:20]([O:23][CH2:24][CH3:25])=[O:22])[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[CH:4]=[CH:3][CH:2]=1 | 1 |
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