smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C1COCCN1.C(=O)(OC(C)(C)C)N[C@@H](CC)C(=O)O>>N1(CCOCC1)C(=O)[C@H](CC)NC(OC(C)(C)C)=O | 5 |
[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][N:11]([C:14]2[C:20]3[CH:21]=[CH:22][CH:23]=[CH:24][C:19]=3[O:18][C:17]3[CH:25]=[CH:26][C:27]([Cl:29])=[CH:28][C:16]=3[N:15]=2)[CH2:10][C@@H:9]1[CH2:30][C:31]([OH:33])=[O:32])=[O:7])([CH3:4])([CH3:3])[CH3:2].Cl.CN(C)CCCN=C=NCC.[CH3:46][CH:47](O)[CH2:48][C:49]([OH:52])([CH3:51])[CH3:50]>CN(C=O)C.CN(C)C1C=CN=CC=1>[Cl:29][C:27]1[CH:26]=[CH:25][C:17]2[O:18][C:19]3[CH:24]=[CH:23][CH:22]=[CH:21][C:20]=3[C:14]([N:11]3[CH2:12][CH2:13][N:8]([C:6]([O:5][C:1]([CH3:4])([CH3:2])[CH3:3])=[O:7])[C@@H:9]([CH2:30][C:31]([O:33][C@@H:47]([CH2:48][C:49]([OH:52])([CH3:51])[CH3:50])[CH3:46])=[O:32])[CH2:10]3)=[N:15][C:16]=2[CH:28]=1 | 1 |
[F:1][C:2]1[N:10]=[C:9]2[C:5]([N:6]=[CH:7][NH:8]2)=[C:4]([NH:11][CH2:12][C:13]2[CH:18]=[CH:17][N:16]=[CH:15][CH:14]=2)[N:3]=1.C([O-])([O-])=O.[K+].[K+].Br[CH:26]([CH3:28])[CH3:27].C(Cl)(Cl)Cl>CN(C=O)C.CO>[F:1][C:2]1[N:10]=[C:9]2[C:5]([N:6]=[CH:7][N:8]2[CH:26]([CH3:28])[CH3:27])=[C:4]([NH:11][CH2:12][C:13]2[CH:18]=[CH:17][N:16]=[CH:15][CH:14]=2)[N:3]=1 | 1 |
[F:1][C:2]([F:24])([F:23])[O:3][C:4]1[CH:9]=[CH:8][C:7]([C:10]2[C:18]3[C:13](=[CH:14][CH:15]=[CH:16][CH:17]=3)[NH:12][C:11]=2[C:19]([NH:21][NH2:22])=[O:20])=[CH:6][CH:5]=1.[Cl:25][C:26]1[CH:33]=[CH:32][C:29]([CH:30]=O)=[CH:28][CH:27]=1>C(O)C>[Cl:25][C:26]1[CH:33]=[CH:32][C:29]([CH:30]=[N:22][NH:21][C:19]([C:11]2[NH:12][C:13]3[C:18]([C:10]=2[C:7]2[CH:6]=[CH:5][C:4]([O:3][C:2]([F:23])([F:1])[F:24])=[CH:9][CH:8]=2)=[CH:17][CH:16]=[CH:15][CH:14]=3)=[O:20])=[CH:28][CH:27]=1 | 2 |
C([O:8][C:9](=[O:34])[C@H:10]([N:20]([CH2:28][C:29]([O:31][CH2:32][CH3:33])=[O:30])[C:21]([O:23][C:24]([CH3:27])([CH3:26])[CH3:25])=[O:22])[CH2:11][C:12]1[CH:17]=[CH:16][C:15]([O:18][CH3:19])=[CH:14][CH:13]=1)C1C=CC=CC=1>CO.[Pd]>[CH2:32]([O:31][C:29]([CH2:28][N:20]([C:21]([O:23][C:24]([CH3:25])([CH3:27])[CH3:26])=[O:22])[C@H:10]([CH2:11][C:12]1[CH:13]=[CH:14][C:15]([O:18][CH3:19])=[CH:16][CH:17]=1)[C:9]([OH:34])=[O:8])=[O:30])[CH3:33] | 1 |
O1COC2=C1C=CC=C2N2CCN(CC2)C(=O)OC(C)(C)C>ClCCl.Cl.O1CCOCC1>Cl.O1COC2=C1C=CC=C2N2CCNCC2 | 3 |
C(C)(=O)C1=NN(C2=CC=CC=C12)CC(=O)N1[C@@H](C[C@H](C1)F)C(=O)NC=1C(=C(C=CC1)C=1C=CC2=C(N(C=N2)C(=O)OCC(Cl)(Cl)Cl)C1Cl)F>C1CCCO1.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC>C(C)(=O)C1=NN(C2=CC=CC=C12)CC(=O)N1[C@@H](C[C@H](C1)F)C(=O)NC1=C(C(=CC=C1)C=1C=CC2=C(NC=N2)C1Cl)F | 3 |
C1C(/C=N/O)=CC=[N+](C[N+]2C=CC(/C=N/[OH:16])=CC=2)C=1.[Br-].[Br-].[C:22]([CH:25]([C:39]1[CH:44]=[CH:43][CH:42]=[CH:41][CH:40]=1)[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][C:31]1[C:32](=NOC)[CH2:33][CH2:34][CH:35]=1)([OH:24])=[O:23]>>[C:22]([CH:25]([C:39]1[CH:44]=[CH:43][CH:42]=[CH:41][CH:40]=1)[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][C:31]1[C:32](=[O:16])[CH2:33][CH2:34][CH:35]=1)([OH:24])=[O:23] | 1 |
C(C)(CC)C=1C2=C3N(N=C2C=CC1)C(=CC(N3)=O)C3CCN(CC3)C(=O)OC(C)(C)C>Cl.O1CCOCC1>Cl.C(C)(CC)C=1C2=C3N(N=C2C=CC1)C(=CC(N3)=O)C3CCNCC3 | 3 |
[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][N:11]([S:14]([CH3:17])(=[O:16])=[O:15])[CH:10]([CH2:18][OH:19])[CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].N1C2C(=C(C3N=C(N4CCOCC4)C4SC(CN5CCN(S(C)(=O)=O)C(CO)C5)=CC=4N=3)C=CC=2)[CH:22]=N1.[H-].[Na+].IC>C(Cl)Cl.C1COCC1>[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][N:11]([S:14]([CH3:17])(=[O:16])=[O:15])[CH:10]([CH2:18][O:19][CH3:22])[CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2] | 1 |
[Cl:1][C:2]1[C:7]([N+:8]([O-])=O)=[C:6]([NH:11][CH:12]([CH2:17][O:18][CH3:19])[CH2:13][CH2:14][O:15][CH3:16])[CH:5]=[C:4]([CH3:20])[N:3]=1.C(O)(=O)C>CO.[Fe]>[NH2:8][C:7]1[C:2]([Cl:1])=[N:3][C:4]([CH3:20])=[CH:5][C:6]=1[NH:11][C@H:12]([CH2:17][O:18][CH3:19])[CH2:13][CH2:14][O:15][CH3:16] | 1 |
C(C)(C)(C)OC(=O)N1CCN(CCC1)C1=CC=C(C=C1)NC(=O)C=1N=C(OC1C(F)(F)F)C1=CC=CC=C1>CO[H].Cl.O1CCOCC1>Cl.N1(CCNCCC1)C1=CC=C(C=C1)NC(=O)C=1N=C(OC1C(F)(F)F)C1=CC=CC=C1 | 3 |
[CH3:1][O:2][C:3](=[O:13])[C:4]1[CH:9]=[CH:8][C:7]([C:10]#[N:11])=[C:6]([OH:12])[CH:5]=1.[C:14]1([CH2:20][CH2:21][CH2:22][CH2:23]Cl)[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1.C([O-])([O-])=O.[Cs+].[Cs+]>CN(C=O)C>[CH3:1][O:2][C:3](=[O:13])[C:4]1[CH:9]=[CH:8][C:7]([C:10]#[N:11])=[C:6]([O:12][CH2:23][CH2:22][CH2:21][CH2:20][C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)[CH:5]=1 | 1 |
C(=O)(OC(C)(C)C)N1CCC(CC1)NC(CC1=C(C=C(C=C1)C#N)Br)=O>>C(=O)(OC(C)(C)C)N1CCC(CC1)N1C(CC2=CC=C(C=C12)C#N)=O | 5 |
ClC=1SC2=C(N1)C=CC(=C2)F.N[C@@H]1[C@H](CCC1)NC(OC(C)(C)C)=O>CS(=O)C.C(C)(C)N(C(C)C)CC>FC1=CC2=C(N=C(S2)N[C@@H]2[C@H](CCC2)NC(OC(C)(C)C)=O)C=C1 | 3 |
BrC=1C=2N(C=C(C1)OC)N=CC2C#N>[Al](Cl)(Cl)Cl.ClCCCl>BrC=1C=2N(C=C(C1)O)N=CC2C#N | 3 |
[Br:1][CH2:2][C:3]([CH3:7])([CH3:6])[CH2:4][OH:5].C(N(CC)CC)C.[C:15](Cl)(=[O:20])[C:16]([CH3:19])([CH3:18])[CH3:17]>CN(C)C1C=CN=CC=1.C1(C)C=CC=CC=1>[C:15]([O:5][CH2:4][C:3]([CH3:7])([CH3:6])[CH2:2][Br:1])(=[O:20])[C:16]([CH3:19])([CH3:18])[CH3:17] | 1 |
[Br-].Br[CH2:3][P+](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.CC(C)([O-])C.[K+].[Cl:29][C:30]1[CH:37]=[CH:36][CH:35]=[C:34]([F:38])[C:31]=1[CH:32]=O.O>C1COCC1>[Cl:29][C:30]1[CH:37]=[CH:36][CH:35]=[C:34]([F:38])[C:31]=1[C:32]#[CH:3] | 1 |
C(CO)O.[N+](=O)([O-])C=1C=C2C(C(NC2=CC1)=O)=O>>[N+](=O)([O-])C=1C=C2C3(C(NC2=CC1)=O)OCCO3 | 5 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.NC=1C(=NC=C(N1)C)O>C1(=CC=NC=C1)N(C)C.ClCCl>C(C)(C)(C)OC(NC1=NC(=CNC1=O)C)=O | 3 |
COC=1C=C(C=CC1)O.C(C)OC(C=C(C)Cl)=O>>C(C)OC(\C=C(/C)\OC1=CC(=CC=C1)OC)=O | 5 |
[CH3:1][C:2]1[CH:7]=[C:6]([CH3:8])[NH:5][C:4](=[O:9])[C:3]=1[CH2:10][NH:11][C:12]([C:14]1[C:15]2[CH:34]=[N:33][N:32]([CH:35]([CH3:37])[CH3:36])[C:16]=2[N:17]=[C:18]([C:20]2[CH2:21][CH2:22][N:23]([CH:26]3[CH2:31][CH2:30][NH:29][CH2:28][CH2:27]3)[CH2:24][CH:25]=2)[CH:19]=1)=[O:13].[CH:38]([S:40]([CH3:43])(=[O:42])=[O:41])=[CH2:39]>CO>[CH3:1][C:2]1[CH:7]=[C:6]([CH3:8])[NH:5][C:4](=[O:9])[C:3]=1[CH2:10][NH:11][C:12]([C:14]1[C:15]2[CH:34]=[N:33][N:32]([CH:35]([CH3:37])[CH3:36])[C:16]=2[N:17]=[C:18]([C:20]2[CH2:21][CH2:22][N:23]([CH:26]3[CH2:27][CH2:28][N:29]([CH2:39][CH2:38][S:40]([CH3:43])(=[O:42])=[O:41])[CH2:30][CH2:31]3)[CH2:24][CH:25]=2)[CH:19]=1)=[O:13] | 1 |
OC1=C(C=CC=C1)NC(=O)C=1N=CN2C1N=NN(C2=O)COC>>O1C(=NC2=C1C=CC=C2)C(=O)C=2N=CN1C2N=NN(C1=O)COC | 5 |
C(C)(C)(C)[Si](C)(C)Cl.C[C@H]1C[C@H](C[C@H](O1)COS(=O)(=O)C1=CC=C(C)C=C1)O>>C(C)(C)(C)[Si](C)(C)O[C@H]1C[C@H](O[C@H](C1)C)COS(=O)(=O)C1=CC=C(C)C=C1 | 5 |
C([O:4][C@@H:5]1[CH2:9][N:8]([C:10]([O:12][CH2:13][C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)=[O:11])[C@@H:7]([C:20]2[O:21][C:22]([C:31]3[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=3)=[C:23]([C:25]3[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=3)[N:24]=2)[CH2:6]1)(=O)C.C[O-].[Na+].Cl>CC#N.CO>[C:25]1([C:23]2[N:24]=[C:20]([C@H:7]3[CH2:6][C@H:5]([OH:4])[CH2:9][N:8]3[C:10]([O:12][CH2:13][C:14]3[CH:15]=[CH:16][CH:17]=[CH:18][CH:19]=3)=[O:11])[O:21][C:22]=2[C:31]2[CH:32]=[CH:33][CH:34]=[CH:35][CH:36]=2)[CH:26]=[CH:27][CH:28]=[CH:29][CH:30]=1 | 1 |
CC(CN)(C)N.FC1=C(COC=2C=3N(C=C(C2)C)C(=C(N3)C)C(=O)O)C(=CC=C1)OC>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(CNC(=O)C1=C(N=C2N1C=C(C=C2OCC2=C(C=CC=C2OC)F)C)C)(C)C | 3 |
[CH2:1]([O:8][C:9]([CH:11]1[CH2:14][C:13](=O)[CH2:12]1)=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH2:16]([NH:18][CH2:19][CH3:20])[CH3:17].C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+].[Cl-].[NH4+]>ClCCl>[CH2:1]([O:8][C:9]([C@H:11]1[CH2:14][C@@H:13]([N:18]([CH2:19][CH3:20])[CH2:16][CH3:17])[CH2:12]1)=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 1 |
BrC1=CC=C(C=C1)CC(=O)O.Cl.FC1(CNCCC1)F>ClCCl.CCN(CC)CC.OC1=CC=CC=2NN=NC21.CCN=C=NCCCN(C)C>BrC1=CC=C(C=C1)CC(=O)N1CC(CCC1)(F)F | 3 |
[N+](=[N-])=CC(=O)OCC.C(=C)B1OC(C)(C)C(C)(C)O1>>C(C)OC(=O)C1C(C1)B1OC(C(O1)(C)C)(C)C | 5 |
[NH2:1][C:2]1[C:7]([C:8]#[C:9][C:10]2[CH:11]=[C:12]([CH:16]=[CH:17][CH:18]=2)[C:13]([OH:15])=O)=[CH:6][C:5]([C:19]([O:21][CH3:22])=[O:20])=[CH:4][N:3]=1.[NH2:23][C:24]1[CH:29]=[CH:28][CH:27]=[C:26]([CH3:30])[CH:25]=1>>[NH2:1][C:2]1[C:7]([C:8]#[C:9][C:10]2[CH:18]=[CH:17][CH:16]=[C:12]([C:13](=[O:15])[NH:23][C:24]3[CH:25]=[C:26]([CH3:30])[CH:27]=[CH:28][CH:29]=3)[CH:11]=2)=[CH:6][C:5]([C:19]([O:21][CH3:22])=[O:20])=[CH:4][N:3]=1 | 1 |
C(C#C)O.BrC=1C=C(C=NC1)OC>[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>COC=1C=C(C=NC1)C#CCO | 3 |
C(C)(C)(C)OC(=O)C1=C(SC(=C1)F)C1=CC=C(C=C1)C1=CC=C(C=C1)C1(CC1)C(=O)OCC>ClCCl.C(=O)(C(F)(F)F)O>C(C)OC(=O)C1(CC1)C1=CC=C(C=C1)C1=CC=C(C=C1)C=1SC(=CC1C(=O)O)F | 3 |
Cl.NCC1(C(NC(N1)=O)=O)C=1N=CSC1C(F)(F)F.FC1=CC=C(C=C1)N1N=CC(=N1)C(=O)O>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.Cl.C(C)N=C=NCCCN(C)C.O.ON1N=NC2=C1C=CC=C2>O=C1NC(C(N1)(C=1N=CSC1C(F)(F)F)CNC(=O)C1=NN(N=C1)C1=CC=C(C=C1)F)=O | 3 |
CC(C(=O)OC)(CO)C.OC=1C(=NC=CC1)[N+](=O)[O-]>O1CCOCC1.N(=NC(=O)OC(C)C)C(=O)OC(C)C>CC(C(=O)OC)(COC=1C(=NC=CC1)[N+](=O)[O-])C | 3 |
CC1=C(C=C(C=C1)C=1OC(=NN1)C)C1=CC=C(C=C1)C(=O)O.CC(CC1=CC=CC=C1)N>N(C)(C)C=O.OC1=CC=CC=2NN=NC21.Cl.CN(CCCN=C=NCC)C>CC1=C(C=C(C=C1)C=1OC(=NN1)C)C1=CC=C(C=C1)C(=O)NC(CC1=CC=CC=C1)C | 3 |
C[Si](C)(C)C=[N+]=[N-].C1(=CC=CC=C1)CCCCCCC(=O)C1=NN=C(N1)C1=NC=CC=C1>>CN1C(=NN=C1C1=NC=CC=C1)C(CCCCCCC1=CC=CC=C1)=O | 5 |
C(C)OC(CC1=CC=C(C=C1)C1=CC(=CC=C1)N1N=NC(=C1NC(=O)O[C@H](C)C1=CC=CC=C1)C)=O>>CC=1N=NN(C1NC(=O)O[C@H](C)C1=CC=CC=C1)C=1C=C(C=CC1)C1=CC=C(C=C1)C1(CC1)C(=O)O | 5 |
Cl[C:2]1[CH:11]=[C:10]([F:12])[CH:9]=[CH:8][C:3]=1[C:4]([O:6][CH3:7])=[O:5].[Cu][C:14]#[N:15].[C-]#N.[Na+].C(OCC)(=O)C>O>[C:14]([C:2]1[CH:11]=[C:10]([F:12])[CH:9]=[CH:8][C:3]=1[C:4]([O:6][CH3:7])=[O:5])#[N:15] | 1 |
[N+:1]([C:4]1[CH:12]=[CH:11][C:7]([C:8](O)=[O:9])=[CH:6][CH:5]=1)([O-:3])=[O:2].S(Cl)([Cl:15])=O>>[N+:1]([C:4]1[CH:12]=[CH:11][C:7]([C:8]([Cl:15])=[O:9])=[CH:6][CH:5]=1)([O-:3])=[O:2] | 1 |
COC(CC1=C(C=C(C=C1)Br)Cl)=O>O1CCOCC1.B1(OC(C(O1)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.Cl[Pd]Cl.[Fe+2].C(C)(=O)[O-].[K+]>COC(CC1=C(C=C(C=C1)B1OC(C(O1)(C)C)(C)C)Cl)=O | 3 |
BrCC(=O)C1=CC=CC=C1.C(N)(=S)C=1C=NN2C1NC(C=C2C2CCN(CC2)C(=O)OC(C)(C)C)=O>CCO[H].C(C)(C)N(C(C)C)CC>O=C1NC=2N(C(=C1)C1CCN(CC1)C(=O)OC(C)(C)C)N=CC2C=2SC=C(N2)C2=CC=CC=C2 | 3 |
[C:1]([O:7][CH2:8][N:9]1[C:13]2[N:14]=[CH:15][N:16]=[C:17]([C:18]3[CH:19]=[N:20][N:21](/[C:23](/[CH:28]4[CH2:32][CH2:31][CH2:30][CH2:29]4)=[CH:24]\[C:25]([NH2:27])=[O:26])[CH:22]=3)[C:12]=2[CH:11]=[CH:10]1)(=[O:6])[C:2]([CH3:5])([CH3:4])[CH3:3].[H][H]>C(Cl)Cl.C(O)C(F)(F)F>[C:1]([O:7][CH2:8][N:9]1[C:13]2[N:14]=[CH:15][N:16]=[C:17]([C:18]3[CH:19]=[N:20][N:21]([C@H:23]([CH:28]4[CH2:32][CH2:31][CH2:30][CH2:29]4)[CH2:24][C:25]([NH2:27])=[O:26])[CH:22]=3)[C:12]=2[CH:11]=[CH:10]1)(=[O:6])[C:2]([CH3:4])([CH3:5])[CH3:3] | 1 |
NC=1C=C(C=CC1)O.COC1C(OCC1)(C=O)OC>>OC=1C=C(C=CC1)N1C=C(C=C1)C=O | 5 |
OCC1=NN(C(=C1)C1=CC=CC=C1)C1=CC=C(C=C1)S(=O)(=O)N>ClCCl.C(C)N(CC)S(F)(F)F>FCC1=NN(C(=C1)C1=CC=CC=C1)C1=CC=C(C=C1)S(=O)(=O)N | 3 |
[NH2:1][CH:2]1[CH2:7][CH2:6][N:5]([CH:8]2[CH2:13][CH2:12][CH2:11][CH2:10][CH2:9]2)[CH2:4][CH2:3]1.[N+:14]([C:17]1[CH:18]=[C:19]2[C:24](=O)[O:23][C:21](=[O:22])[C:20]2=[CH:26][CH:27]=1)([O-:16])=[O:15]>C(Cl)(Cl)Cl>[CH:8]1([N:5]2[CH2:6][CH2:7][CH:2]([N:1]3[C:24](=[O:23])[C:19]4=[CH:18][C:17]([N+:14]([O-:16])=[O:15])=[CH:27][CH:26]=[C:20]4[C:21]3=[O:22])[CH2:3][CH2:4]2)[CH2:13][CH2:12][CH2:11][CH2:10][CH2:9]1 | 1 |
[CH3:1][C:2]1[O:6][N:5]=[C:4]([C:7]([NH:9][C@@H:10]2[C:24](=[O:25])[N:23]3[CH2:26][C@H:27]([O:29]C(=O)C4C=CC([N+]([O-])=O)=CC=4)[CH2:28][C@H:22]3[C:21](=[O:41])[NH:20][C@:19]3([C:43]([O:45][CH2:46][CH3:47])=[O:44])[CH2:42][CH:18]3[CH:17]=[CH:16][CH2:15][CH2:14][CH2:13][CH2:12][CH2:11]2)=[O:8])[CH:3]=1.C1COCC1.[Li+].[OH-].Cl>ClCCl>[OH:29][C@H:27]1[CH2:26][N:23]2[C:24](=[O:25])[C@@H:10]([NH:9][C:7]([C:4]3[CH:3]=[C:2]([CH3:1])[O:6][N:5]=3)=[O:8])[CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH:16]=[CH:17][CH:18]3[CH2:42][C@@:19]3([C:43]([O:45][CH2:46][CH3:47])=[O:44])[NH:20][C:21](=[O:41])[C@@H:22]2[CH2:28]1 | 1 |
BrC1=NC=C(C(=C1)C1=NC2=C(N1C)C=CC=C2)F>>FC=1C(=CC(=NC1)N1CCN(CC1)C(=O)OC(C)(C)C)C1=NC2=C(N1C)C=CC=C2 | 5 |
C1(=CC=CC=C1)S(=O)(=O)C(COC)(C)C1CC=2N(C3=CC=C(C=C3C2CC1)Cl)COC>>C1(=CC=CC=C1)S(=O)(=O)C(COC)(C)C1CC=2NC3=CC=C(C=C3C2CC1)Cl | 5 |
BrCC(=O)Br.COC([C@H](CN)NC(C1=CC=C(C=C1)C#CC1=CC=CC=C1)=O)=O>>COC([C@H](CNC(CBr)=O)NC(C1=CC=C(C=C1)C#CC1=CC=CC=C1)=O)=O | 5 |
Cl[CH2:2][C:3]([NH:5][C:6]([NH2:8])=[O:7])=[O:4].CN(C)C=O.[OH:14][C:15]1[C:20]2[C:21]3[CH2:22][NH:23][CH2:24][CH2:25][C:26]=3[C:27]([CH3:30])([CH3:29])[O:28][C:19]=2[CH:18]=[C:17]([CH:31]([CH3:39])[CH:32]([CH3:38])[CH2:33][CH2:34][CH2:35][CH2:36][CH3:37])[CH:16]=1.C(N(CC)CC)C>O>[OH:14][C:15]1[C:20]2[C:21]3[CH2:22][N:23]([CH2:2][C:3]([NH:5][C:6]([NH2:8])=[O:7])=[O:4])[CH2:24][CH2:25][C:26]=3[C:27]([CH3:29])([CH3:30])[O:28][C:19]=2[CH:18]=[C:17]([CH:31]([CH3:39])[CH:32]([CH3:38])[CH2:33][CH2:34][CH2:35][CH2:36][CH3:37])[CH:16]=1 | 1 |
[NH2:1][C:2]1[C:3]([S:8]([NH2:11])(=[O:10])=[O:9])=[N:4][CH:5]=[CH:6][CH:7]=1.[CH:12](=O)[CH3:13].Cl>C(O)(C)C.C(OCC)(=O)C>[CH3:12][CH:13]1[NH:1][C:2]2[CH:7]=[CH:6][CH:5]=[N:4][C:3]=2[S:8](=[O:10])(=[O:9])[NH:11]1 | 1 |
ClC(Cl)(Cl)[C:3]([C:5]1[N:14]2[C:8]([CH2:9][N:10]([C:19]([C:21]3[CH:26]=[CH:25][C:24]([C:27]4[CH:32]=[CH:31][CH:30]=[CH:29][C:28]=4[CH3:33])=[C:23]([O:34][CH3:35])[CH:22]=3)=[O:20])[C:11]3[CH:18]=[CH:17][CH:16]=[CH:15][C:12]=3[CH2:13]2)=[CH:7][CH:6]=1)=[O:4].[Cl:38][C:39]1[CH:44]=[CH:43][C:42]([CH2:45][CH2:46][NH2:47])=[CH:41][CH:40]=1>>[Cl:38][C:39]1[CH:44]=[CH:43][C:42]([CH2:45][CH2:46][NH:47][C:3]([C:5]2[N:14]3[C:8]([CH2:9][N:10]([C:19]([C:21]4[CH:26]=[CH:25][C:24]([C:27]5[CH:32]=[CH:31][CH:30]=[CH:29][C:28]=5[CH3:33])=[C:23]([O:34][CH3:35])[CH:22]=4)=[O:20])[C:11]4[CH:18]=[CH:17][CH:16]=[CH:15][C:12]=4[CH2:13]3)=[CH:7][CH:6]=2)=[O:4])=[CH:41][CH:40]=1 | 1 |
[CH:1]1[C:6]([NH:7][C:8]2[CH:13]=[CH:12][C:11]([Br:14])=[CH:10][CH:9]=2)=[CH:5][CH:4]=[C:3]([Br:15])[CH:2]=1.[C:16]1(=O)[CH2:21][CH2:20][C:19](=O)[CH2:18][CH2:17]1.C1(C)C=CC(S(O)(=O)=O)=CC=1>C1(C)C=CC=CC=1>[CH:16]1[CH:21]=[CH:20][C:19]([N:7]([C:8]2[CH:13]=[CH:12][C:11]([Br:14])=[CH:10][CH:9]=2)[C:6]2[CH:1]=[CH:2][C:3]([Br:15])=[CH:4][CH:5]=2)=[CH:18][CH:17]=1 | 1 |
FC(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)(F)F.OCC[N+]1=C(N(C=C1)C)C>N.C[SiH](N([Si](C)(C)C)C)C>FC(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)(F)F.C[Si](OCC[N+]1=C(N(C=C1)C)C)(C)C | 3 |
[H-].[Al+3].[Li+].[H-].[H-].[H-].[F:7][C:8]1[CH:13]=[CH:12][C:11]([CH:14]([C:20](OCC)=[O:21])[C:15](OCC)=[O:16])=[CH:10][CH:9]=1.Cl>O1CCCC1>[F:7][C:8]1[CH:9]=[CH:10][C:11]([CH:14]([CH2:20][OH:21])[CH2:15][OH:16])=[CH:12][CH:13]=1 | 2 |
C(C)(C)(C)OC(=O)N1C[C@H]2COC(=CN2CC1)C1=C(C(=C(C=C1)F)C#N)C>CO[H].[HH].[Pd].C(=O)([O-])[O-].[Ca+2]>C(C)(C)(C)OC(=O)N1C[C@H]2CO[C@H](CN2CC1)C1=C(C(=C(C=C1)F)C#N)C | 3 |
C[C@@H]1CNC[C@@H](O1)C.N1N=C(C2=C1CCC2)C(=O)O>N(C)(C)C=O.O.CN1CCOCC1.CCN=C=NCCCN(C)C.ON1N=NC2=C1N=CC=C2>C[C@H]1O[C@H](CN(C1)C(=O)C=1C2=C(NN1)CCC2)C | 3 |
[CH:1]([O:4]C(C)C)([CH3:3])[CH3:2].[Al:8].Cl.O.[NH:11]1[C:21](=[O:22])[C:20]2[NH:19][C:17](=[O:18])[NH:16][C:15]=2[NH:14][ClH:12]1=[O:13]>C(O)C>[CH3:2][CH:1]([CH3:3])[O-:4].[Al+3:8].[CH3:2][CH:1]([CH3:3])[O-:4].[CH3:2][CH:1]([CH3:3])[O-:4].[NH:11]1[C:21](=[O:22])[C:20]2[NH:19][C:17](=[O:18])[NH:16][C:15]=2[NH:14][ClH:12]1=[O:13] | 1 |
ClC=1C=CC=C2C(=CC=C(C12)C(=O)O)OC>>FC(S(=O)(=O)OC1=CC=C(C2=C(C=CC=C12)Cl)C(N(C)C)=O)(F)F | 5 |
CN1CC2=C(NC=3C=CC(=CC23)C)CC1.CC=1SC(=CC1)C=C>>CN1CC2=C(N(C=3C=CC(=CC23)C)CCC=2SC(=CC2)C)C=C1 | 5 |
[Br:1][C:2]1[CH:3]=[C:4]([CH:17]=[C:18]([Br:21])[C:19]=1[OH:20])[CH:5]=[C:6]1[C:14]2[C:9](=[CH:10][CH:11]=[C:12]([I:15])[CH:13]=2)[NH:8][C:7]1=[O:16].CC(C)([O-])C.[K+].[C:28](Cl)(Cl)=[O:29].C1(C)C=CC=CC=1.[NH2:39][CH2:40][CH2:41][O:42][CH2:43][CH2:44][OH:45].CN1CCOCC1>C1COCC1.CCOCC>[OH:45][CH2:44][CH2:43][O:42][CH2:41][CH2:40][NH:39][C:28](=[O:29])[O:20][C:19]1[C:18]([Br:21])=[CH:17][C:4]([CH:5]=[C:6]2[C:14]3[C:9](=[CH:10][CH:11]=[C:12]([I:15])[CH:13]=3)[NH:8][C:7]2=[O:16])=[CH:3][C:2]=1[Br:1] | 1 |
Cl.[NH:2]([C:4]1[CH:5]=[C:6]([CH:10]=[CH:11][CH:12]=1)[C:7]([OH:9])=[O:8])[NH2:3].[CH3:13][C:14]([CH3:21])([CH3:20])[C:15](=O)[CH2:16][C:17]#[N:18].[CH2:22](O)[CH3:23]>>[CH2:22]([O:8][C:7](=[O:9])[C:6]1[CH:10]=[CH:11][CH:12]=[C:4]([N:2]2[C:17]([NH2:18])=[CH:16][C:15]([C:14]([CH3:21])([CH3:20])[CH3:13])=[N:3]2)[CH:5]=1)[CH3:23] | 2 |
[CH3:1][N:2]([CH2:4][C:5]1[O:6][CH:7]=[CH:8][C:9]=1C)[CH3:3].[CH2:11]=O.Cl.[CH:14]([Cl:17])(Cl)Cl>[Cl-].[Zn+2].[Cl-]>[Cl:17][CH2:14][C:7]1[O:6][C:5]([CH2:4][N:2]([CH3:1])[CH3:3])=[CH:9][C:8]=1[CH3:11] | 1 |
[CH2:1]([O:3][C:4]([C@@H:6]1[C@@H:11]2[C@H:7]1[CH2:8][C@@H:9]([O:25][CH2:26][C:27]1[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=1)[C@@:10]2([N:22]=[N+]=[N-])[C:12]([O:14][CH2:15][C:16]1[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=1)=[O:13])=[O:5])[CH3:2].P(C)(C)C>C1COCC1.O.CCOCC>[CH2:1]([O:3][C:4]([C@@H:6]1[C@@H:11]2[C@H:7]1[CH2:8][C@@H:9]([O:25][CH2:26][C:27]1[CH:28]=[CH:29][CH:30]=[CH:31][CH:32]=1)[C@@:10]2([NH2:22])[C:12]([O:14][CH2:15][C:16]1[CH:17]=[CH:18][CH:19]=[CH:20][CH:21]=1)=[O:13])=[O:5])[CH3:2] | 1 |
C[Si](C)(C)C#C.C1(=CC=CC=C1)N1NC(=CC1C1=CC=C(C=C1)C(C)(C)C)C1=CC=C(C=C1)I>[Cu]I.C1CCCO1.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>C1(=CC=CC=C1)N1NC(=CC1C1=CC=C(C=C1)C(C)(C)C)C1=CC=C(C=C1)C#C[Si](C)(C)C | 3 |
CC(=O)C.O.C(CCCCCCCCCCC=C)N1C(=O)N(C=2N=CN(C2C1=O)C)C>O.O.O.[O-][Os](=O)(=O)[O-].[K+].[K+].C[N+]1(CCOCC1)[O-]>OC(CCCCCCCCCCCN1C(=O)N(C=2N=CN(C2C1=O)C)C)CO | 3 |
[Br:1][C:2]1[CH:3]=[C:4]([NH2:11])[C:5]([NH:8][CH2:9][CH3:10])=[N:6][CH:7]=1.[CH3:12][O:13][C:14]1[CH:19]=[CH:18][C:17]([S:20](Cl)(=[O:22])=[O:21])=[CH:16][CH:15]=1>>[Br:1][C:2]1[CH:3]=[C:4]([NH:11][S:20]([C:17]2[CH:16]=[CH:15][C:14]([O:13][CH3:12])=[CH:19][CH:18]=2)(=[O:22])=[O:21])[C:5]([NH:8][CH2:9][CH3:10])=[N:6][CH:7]=1 | 1 |
[Si](C)(C)(C(C)(C)C)OCC1(CC=2N(CCS1)C(=NN2)C2(CC2)C2=CC=C(C=C2)C=2C=NN(C2)C(C)C)C>CO[H].Cl>C(C)(C)N1N=CC(=C1)C1=CC=C(C=C1)C1(CC1)C1=NN=C2N1CCSC(C2)(C)CO | 3 |
BrC=1C(N(C(N(C1C)CC1=C(C=CC=C1C(F)(F)F)F)=O)C[C@@H](C1=CC=CC=C1)NC(=O)OC(C)(C)C)=O.C(C1=CC=CC=C1)N1C(CNCC1)CO>CC#N>C(C)(C)(C)OC(N[C@@H](CN1C(N(C(=C(C1=O)N1CC(N(CC1)CC1=CC=CC=C1)CO)C)CC1=C(C=CC=C1C(F)(F)F)F)=O)C1=CC=CC=C1)=O | 3 |
ClC=1C=NC=C(C1)C=O>CCO[H].Cl.NO.C(C)(=O)[O-].[Na+]>ClC=1C=NC=C(C=NO)C1 | 3 |
Cl.C(C)(=O)OC=1C=C2C(=NC=NC2=CC1OC)NC1=C(C(=CC=C1)Cl)F>>ClC=1C(=C(NC2=NC=NC3=CC(=C(C=C23)O)OC)C=CC1)F | 5 |
C(CO)O.CC1=C(C#N)C=CC(=C1)C(F)(F)F>[OH-].[K+]>CC1=C(C(=O)O)C=CC(=C1)C(F)(F)F | 3 |
ClC1=C(C=CC(=C1)[N+](=O)[O-])O.ClC1=NC(=NC=C1)NCCCO>N(C)(C)C=O.[H-].[Na+]>ClC1=C(OC2=NC(=NC=C2)NCCCO)C=CC(=C1)[N+](=O)[O-] | 3 |
[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][N:11]([C:14]2[N:19]=[C:18]([C:20]3[CH:25]=[CH:24][N:23]=[CH:22][C:21]=3[Cl:26])[CH:17]=[CH:16][CH:15]=2)[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].C1C(=O)N([Br:34])C(=O)C1>C(Cl)(Cl)Cl>[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][N:11]([C:14]2[N:19]=[C:18]([C:20]3[CH:25]=[CH:24][N:23]=[CH:22][C:21]=3[Cl:26])[C:17]([Br:34])=[CH:16][CH:15]=2)[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:2])[CH3:3] | 2 |
[CH3:1][C:2]1[O:12][C:10](=O)[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[N:3]=1.[NH2:13][C:14]1[C:19]([CH3:20])=[CH:18][CH:17]=[CH:16][N:15]=1>>[CH3:1][C:2]1[N:13]([C:14]2[C:19]([CH3:20])=[CH:18][CH:17]=[CH:16][N:15]=2)[C:10](=[O:12])[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[N:3]=1 | 1 |
ClC(COC(=O)Cl)(Cl)Cl.NC=1C(=C(C=C(C1)C(C)(C)C)CO)OC>C1CCCO1.C(C)(C)N(C(C)C)CC>C(C)(C)(C)C=1C=C(C(=C(C1)NC(OCC(Cl)(Cl)Cl)=O)OC)CO | 3 |
[N+:1]([O-:4])(O)=[O:2].[F:5][C:6]1[CH:7]=[C:8]([Br:13])[CH:9]=[CH:10][C:11]=1[F:12]>OS(O)(=O)=O>[Br:13][C:8]1[CH:7]=[C:6]([F:5])[C:11]([F:12])=[CH:10][C:9]=1[N+:1]([O-:4])=[O:2] | 1 |
C(C)(C)(C)[Si](C)(C)Cl.C(CC=C)O>>[Si](C)(C)(C(C)(C)C)OCCC=C | 5 |
C(C(=O)[O-])(C)C.[K+].C(C)[C@@H]1C[C@]2(COC(CBr)=O)[C@@H](C1)[C@@H]1CCC3=CC(CC[C@@H]3[C@H]1CC2)=O>O.CC(=O)C>C(C)[C@@H]1[C@@H]([C@]2(C)[C@@H](C1)[C@@H]1CCC3=CC(CC[C@@H]3[C@H]1CC2)=O)OC(COC(C(C)C)=O)=O | 3 |
C(=O)([O-])[O-].[Zn+2:5].[NH2:6][C@H:7]([C:12]([OH:14])=[O:13])[CH2:8][C:9]([OH:11])=[O:10]>O>[Zn:5].[NH2:6][C@H:7]([C:12]([OH:14])=[O:13])[CH2:8][C:9]([OH:11])=[O:10] | 1 |
FC1=C(CBr)C=CC(=C1)I.N1C(=CC=2C1=CN=CC2)C(=O)OC>>FC1=C(CN2C(=CC=3C2=CN=CC3)C(=O)OCC)C=CC(=C1)I | 5 |
CS(=O)(=O)Cl.OCCN(CCCCOC1=CC=CC=2C(C3=CC=CC=C3NC12)=O)CCO>>ClCCN(CCCCOC1=CC=CC=2C(C3=CC=CC=C3NC12)=O)CCCl | 5 |
[CH2:1]([Si:5]([CH2:22][CH2:23][CH2:24][CH3:25])([CH2:18][CH2:19][CH2:20][CH3:21])[O:6][C:7]1[C:8]([C:13]([O:15]CC)=O)=[N:9][CH:10]=[CH:11][CH:12]=1)[CH2:2][CH2:3][CH3:4].[F:26][C:27]1[CH:32]=[CH:31][C:30]([Mg]Cl)=[CH:29][CH:28]=1>O1CCCC1>[F:26][C:27]1[CH:32]=[CH:31][C:30]([C:13]([C:8]2[C:7]([O:6][Si:5]([CH2:1][CH2:2][CH2:3][CH3:4])([CH2:18][CH2:19][CH2:20][CH3:21])[CH2:22][CH2:23][CH2:24][CH3:25])=[CH:12][CH:11]=[CH:10][N:9]=2)=[O:15])=[CH:29][CH:28]=1 | 1 |
FC(C(=O)OCC)(F)F.N[C@H](C(=O)N(C)[C@H](C(=O)N1C[C@]2(C[C@H]1C(=O)N)C(NC1=C(O2)C=C(C=C1F)F)=O)CC1CC1)C>O.CO[H].CN(C)C>C1(CC1)C[C@@H](C(=O)N1C[C@]2(C[C@H]1C(=O)N)C(NC1=C(O2)C=C(C=C1F)F)=O)N(C([C@H](C)NC(C(F)(F)F)=O)=O)C | 3 |
C[O:2][C:3](=[O:35])[C:4]1[CH:9]=[CH:8][C:7]([CH2:10][N:11]([S:24]([C:27]2[CH:32]=[CH:31][C:30]([Cl:33])=[CH:29][CH:28]=2)(=[O:26])=[O:25])[CH:12]2[CH2:18][CH:17]([C:19]([F:22])([F:21])[F:20])[CH2:16][CH2:15][NH:14][C:13]2=[O:23])=[C:6]([F:34])[CH:5]=1.[OH-].[Na+]>C1COCC1>[Cl:33][C:30]1[CH:31]=[CH:32][C:27]([S:24]([N:11]([CH2:10][C:7]2[CH:8]=[CH:9][C:4]([C:3]([OH:35])=[O:2])=[CH:5][C:6]=2[F:34])[CH:12]2[CH2:18][CH:17]([C:19]([F:21])([F:20])[F:22])[CH2:16][CH2:15][NH:14][C:13]2=[O:23])(=[O:26])=[O:25])=[CH:28][CH:29]=1 | 1 |
[CH3:1][C@H:2]1[CH2:33][C:32]([CH3:34])=[CH:31][C@@H:30]([CH2:35][CH:36]=[CH2:37])[C:28](=[O:29])[CH2:27][C@H:26]([OH:38])[C@@H:25]([CH3:39])[C@@H:24](/[C:40](/[CH3:51])=[CH:41]/[C@H:42]2[CH2:47][C@@H:46]([O:48][CH3:49])[C@H:45]([OH:50])[CH2:44][CH2:43]2)[O:23][C:21](=[O:22])[C@H:20]2[N:15]([CH2:16][CH2:17][CH2:18][CH2:19]2)[C:13](=[O:14])[C:11](=[O:12])[C@:9]2([OH:52])[O:10][C@@H:5]([C@@H:6]([O:54][CH3:55])[CH2:7][C@H:8]2[CH3:53])[C@@H:4]([O:56][CH3:57])[CH2:3]1.[C:58]1(=[O:64])[O:63][C:61](=[O:62])[CH2:60][CH2:59]1>N1C=CC=CC=1.CN(C1C=CN=CC=1)C>[CH2:35]([CH:30]1[CH:31]=[C:32]([CH3:34])[CH2:33][CH:2]([CH3:1])[CH2:3][CH:4]([O:56][CH3:57])[CH:5]2[O:10][C:9]([OH:52])([CH:8]([CH3:53])[CH2:7][CH:6]2[O:54][CH3:55])[C:11](=[O:12])[C:13](=[O:14])[N:15]2[CH:20]([CH2:19][CH2:18][CH2:17][CH2:16]2)[C:21](=[O:22])[O:23][CH:24]([C:40]([CH3:51])=[CH:41][CH:42]2[CH2:43][CH2:44][CH:45]([O:50][C:58](=[O:64])[CH2:59][CH2:60][C:61]([OH:63])=[O:62])[CH:46]([O:48][CH3:49])[CH2:47]2)[CH:25]([CH3:39])[CH:26]([OH:38])[CH2:27][C:28]1=[O:29])[CH:36]=[CH2:37] | 1 |
FC=1C(=CC(=C(C1)N[C@@H]1CN(CC1)C(=O)OC(C)(C)C)C)S(NC=1N=CSC1)(=O)=O>C(C)OCC.ClCCl.C(=O)(C(F)(F)F)O>FC(C(=O)O)(F)F.FC1=C(C=C(C(=C1)N[C@@H]1CNCC1)C)S(=O)(=O)NC=1N=CSC1 | 3 |
COC1=CC=C(C=C1)B(O)O.ClC=1C=C(C=CC1)C1=CC(=NC=2N1N=C(C2I)C)N2[C@@H](CCC2)CO>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+]>COC1=CC=C(C=C1)C=1C(=NN2C1N=C(C=C2C2=CC(=CC=C2)Cl)N2[C@@H](CCC2)CO)C | 3 |
C(C)(C)[C@@H]1N(C(OC1)=O)C([C@@](C=C)(C)COC)=O>O(O[H])[H].O.C1CCCO1.Cl.O[Li].O>COC[C@@](C(=O)O)(C=C)C | 3 |
COC1=CC=2C3=CC=CC(=C3C3=CC=CC=C3C2C=C1)OC>>OC1=CC=2C3=CC=CC(=C3C3=CC=CC=C3C2C=C1)O | 5 |
Cl[C:2]1[C:12]2[C:11]3[CH:13]=[CH:14][CH:15]=[CH:16][C:10]=3[S:9][N:8]=[CH:7][C:6]=2[CH:5]=[CH:4][CH:3]=1.[NH:17]1[CH2:22][CH2:21][NH:20][CH2:19][CH2:18]1>>[N:17]1([C:2]2[C:12]3[C:11]4[CH:13]=[CH:14][CH:15]=[CH:16][C:10]=4[S:9][N:8]=[CH:7][C:6]=3[CH:5]=[CH:4][CH:3]=2)[CH2:22][CH2:21][NH:20][CH2:19][CH2:18]1 | 1 |
[S:1]1[C:5]2[CH:6]=[CH:7][CH:8]=[CH:9][C:4]=2[N:3]=[C:2]1[C:10]1[CH:24]=[CH:23][CH:22]=[CH:21][C:11]=1[O:12][C:13]1[N:18]=[CH:17][C:16]([NH2:19])=[CH:15][C:14]=1[Cl:20].[Cl:25][C:26]1[CH:27]=[C:28]([S:33](Cl)(=[O:35])=[O:34])[CH:29]=[CH:30][C:31]=1[Cl:32]>>[S:1]1[C:5]2[CH:6]=[CH:7][CH:8]=[CH:9][C:4]=2[N:3]=[C:2]1[C:10]1[CH:24]=[CH:23][CH:22]=[CH:21][C:11]=1[O:12][C:13]1[N:18]=[CH:17][C:16]([NH:19][S:33]([C:28]2[CH:29]=[CH:30][C:31]([Cl:32])=[C:26]([Cl:25])[CH:27]=2)(=[O:35])=[O:34])=[CH:15][C:14]=1[Cl:20] | 1 |
ClC1=CC=C(C=C1)C1=CC(=C(S1)CC)C(O)C=1OC=CC1>>ClC1=CC=C(C=C1)C1=CC(=C(S1)CC)C1C(C=CC1=O)O | 5 |
[NH2:1][C:2]1[N:7]=[C:6](Cl)[C:5]([CH2:9][CH2:10][C:11]#[N:12])=[C:4]([CH3:13])[N:3]=1.[CH2:14]([NH2:19])[CH2:15][CH2:16][CH2:17][CH3:18]>O1CCOCC1>[NH2:1][C:2]1[N:3]=[C:4]([CH3:13])[C:5]([CH2:9][CH2:10][C:11]#[N:12])=[C:6]([NH:19][CH2:14][CH2:15][CH2:16][CH2:17][CH3:18])[N:7]=1 | 1 |
NC1=CC(=C(C=C1)N1CCN(CC1)C(=O)OC(C)(C)C)C.ClC1=C(C(=CC=C1)Cl)N1C(C2=C(N=C(N=C2)SC)C(=C1)C#CCOC1OCCCC1)=O>>ClC1=C(C(=CC=C1)Cl)N1C(C2=C(N=C(N=C2)NC2=CC(=C(C=C2)N2CCN(CC2)C(=O)OC(C)(C)C)C)C(=C1)C#CCOC1OCCCC1)=O | 5 |
FC1=NC(=C2N=CN(C2=N1)C1OCCCC1)N.C[C@H](CCC)N>>C[C@H](CCC)NC1=NC(=C2N=CN(C2=N1)C1OCCCC1)N | 5 |
[Cl:1][C:2]1[CH:7]=[C:6]([C:8]#[N:9])[C:5]([CH3:10])=[CH:4][C:3]=1[CH:11]=[CH:12][C:13]([O:15][C:16]([CH3:19])([CH3:18])[CH3:17])=[O:14]>CO.[Pd]>[Cl:1][C:2]1[CH:7]=[C:6]([C:8]#[N:9])[C:5]([CH3:10])=[CH:4][C:3]=1[CH2:11][CH2:12][C:13]([O:15][C:16]([CH3:19])([CH3:18])[CH3:17])=[O:14] | 2 |
BrC1=CC(=NC=C1)F.FC(C=1C=CC=2N(N1)C=CN2)(F)F>C1(=CC=CC=C1)C.c3c(P(c1ccccc1)c2ccccc2)cccc3.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.C([O-])([O-])=O.[K+].[K+].[Cl-].[Li+]>FC1=NC=CC(=C1)C1=CN=C2N1N=C(C=C2)C(F)(F)F | 3 |
[Cl:1][C:2]1[CH:11]=[C:10]2[C:5]([C:6]([C:28]3[CH:33]=[CH:32][CH:31]=[C:30]([N+:34]([O-])=O)[CH:29]=3)=[C:7]([CH2:13][C:14]([NH:16][C:17]3[CH:22]=[CH:21][C:20]([Cl:23])=[CH:19][C:18]=3[C:24]([F:27])([F:26])[F:25])=[O:15])[C:8](=[O:12])[O:9]2)=[CH:4][C:3]=1[CH3:37]>C(O)C.C1COCC1.[Ni]>[NH2:34][C:30]1[CH:29]=[C:28]([C:6]2[C:5]3[C:10](=[CH:11][C:2]([Cl:1])=[C:3]([CH3:37])[CH:4]=3)[O:9][C:8](=[O:12])[C:7]=2[CH2:13][C:14]([NH:16][C:17]2[CH:22]=[CH:21][C:20]([Cl:23])=[CH:19][C:18]=2[C:24]([F:26])([F:27])[F:25])=[O:15])[CH:33]=[CH:32][CH:31]=1 | 1 |
C(C)C(C#C)(CC)O.BrC1=C(C=C(C=C1)C(CC)(CC)C1=CC(=C(C(=C1)C)O)C)C>>C(C)C(CC)(C1=CC(=C(C=C1)C#CC(CC)(O)CC)C)C1=CC(=C(C(=C1)C)O)C | 5 |
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