smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[CH2:1]([O:4][CH2:5][C:6]1[CH:11]=[CH:10][CH:9]=[CH:8][C:7]=1I)[CH:2]=[CH2:3].C1C=CC(P(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1>CC#N.CCN(CC)CC.CCOCC.CC([O-])=O.CC([O-])=O.[Pd+2]>[CH2:3]=[C:2]1[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=2)[CH2:5][O:4][CH2:1]1 | 1 |
[C:1]([C:4]1[CH:5]=[C:6]([N:10]2[C:14]([SH:15])=[N:13][N:12]=[N:11]2)[CH:7]=[CH:8][CH:9]=1)([OH:3])=O.[CH:16]([NH:18][NH:19][C:20]1[CH:26]=[CH:25][C:23]([NH2:24])=[CH:22][CH:21]=1)=[O:17].C1(N=C=NC2CCCCC2)CCCCC1>CN(C)C=O>[SH:15][C:14]1[N:10]([C:6]2[CH:7]=[CH:8][CH:9]=[C:4]([C:1](=[O:3])[NH:24][C:23]3[CH:22]=[CH:21][C:20]([NH:19][NH:18][CH:16]=[O:17])=[CH:26][CH:25]=3)[CH:5]=2)[N:11]=[N:12][N:13]=1 | 1 |
[OH:1][C@@H:2]1[C@H:6]2[N:7](C(OCC3C=CC=CC=3)=O)[CH2:8][C@H:9]([CH3:10])[C@H:5]2[O:4][CH2:3]1.[H][H]>[Pd].CO>[CH3:10][C@H:9]1[CH2:8][NH:7][C@@H:6]2[C@@H:2]([OH:1])[CH2:3][O:4][C@H:5]12 | 1 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([O:8][C:9]2[CH:29]=[CH:28][C:12]([O:13][CH2:14][C@@H:15]3[CH2:19][CH2:18][CH2:17][N:16]3[C:20](=O)[CH2:21][CH2:22][C:23]([O:25][CH3:26])=[O:24])=[CH:11][CH:10]=2)=[CH:4][CH:3]=1>C1COCC1>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([O:8][C:9]2[CH:29]=[CH:28][C:12]([O:13][CH2:14][C@@H:15]3[CH2:19][CH2:18][CH2:17][N:16]3[CH2:20][CH2:21][CH2:22][C:23]([O:25][CH3:26])=[O:24])=[CH:11][CH:10]=2)=[CH:6][CH:7]=1 | 1 |
C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)C.C(#N)C1=CC=C(C=C1)C(C(=O)OCC)=O>>C(#N)C1=CC=C(C=C1)C(C(=O)O[C@H]1[C@@H](CC[C@H](C1)C)C(C)C)=O | 5 |
[CH3:1][C:2]1[CH:7]=[CH:6][C:5]([S:8]([O:11][CH2:12][CH:13]2[O:17][C:16](=[O:18])[N:15]([CH2:19][C:20]3[CH:25]=[CH:24][C:23](F)=[CH:22][CH:21]=3)[CH2:14]2)(=[O:10])=[O:9])=[CH:4][CH:3]=1.[OH:27][CH2:28]C1OC(=O)N(CC2C=CC(OC)=CC=2)C1.FC1C=CC(CN2CC(CO)OC2=O)=CC=1>>[CH3:1][C:2]1[CH:7]=[CH:6][C:5]([S:8]([O:11][CH2:12][CH:13]2[O:17][C:16](=[O:18])[N:15]([CH2:19][C:20]3[CH:25]=[CH:24][C:23]([O:27][CH3:28])=[CH:22][CH:21]=3)[CH2:14]2)(=[O:10])=[O:9])=[CH:4][CH:3]=1 | 2 |
BrCCNC(OC(C)(C)C)=O.Cl.FC1(CCNCC1)F>>FC1(CCN(CC1)CCNC(OC(C)(C)C)=O)F | 5 |
[CH3:1][O:2][C:3](=[O:66])[C@@H:4]([NH:20][C:21]([C@@H:23]1[CH2:32][C:31]2[CH:30]=[C:29]3[O:33][CH2:34][C@@H:35]([C:37]4[CH:42]=[CH:41][C:40]([O:43][CH2:44][C:45]5[CH:50]=[CH:49][C:48]([Cl:51])=[C:47]([Cl:52])[CH:46]=5)=[CH:39][CH:38]=4)[O:36][C:28]3=[CH:27][C:26]=2[CH2:25][N:24]1[S:53]([C:56]1[S:60][C:59]([NH:61][C:62](=[O:64])[CH3:63])=[N:58][C:57]=1[CH3:65])(=[O:55])=[O:54])=[O:22])[CH2:5][C:6]1[CH:11]=[CH:10][C:9]([C:12]2[CH:17]=[CH:16][C:15]([C:18]#[N:19])=[CH:14][CH:13]=2)=[CH:8][CH:7]=1.[CH3:67]I>>[CH3:1][O:2][C:3](=[O:66])[C@@H:4]([NH:20][C:21]([C@@H:23]1[CH2:32][C:31]2[CH:30]=[C:29]3[O:33][CH2:34][C@@H:35]([C:37]4[CH:38]=[CH:39][C:40]([O:43][CH2:44][C:45]5[CH:50]=[CH:49][C:48]([Cl:51])=[C:47]([Cl:52])[CH:46]=5)=[CH:41][CH:42]=4)[O:36][C:28]3=[CH:27][C:26]=2[CH2:25][N:24]1[S:53]([C:56]1[S:60][C:59]([N:61]([C:62](=[O:64])[CH3:63])[CH3:67])=[N:58][C:57]=1[CH3:65])(=[O:55])=[O:54])=[O:22])[CH2:5][C:6]1[CH:7]=[CH:8][C:9]([C:12]2[CH:17]=[CH:16][C:15]([C:18]#[N:19])=[CH:14][CH:13]=2)=[CH:10][CH:11]=1 | 1 |
ClCC(CC(=O)OCC)=O.NC1=NC=CC(=C1)Br>>BrC1=CC=2N(C(C=C(N2)CCl)=O)C=C1 | 3 |
[CH2:1]([O:8][C:9]1[CH:17]=[C:16]2[C:12]([C:13](CCC(O)=O)=[N:14][N:15]2[CH:18]2[CH2:23][CH2:22][CH2:21][CH2:20][O:19]2)=[CH:11][CH:10]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH2:29]([N:31](CC)[CH2:32]C)C.[C:36](Cl)(=[O:41])[C:37](C)(C)[CH3:38].CNC.C1COCC1>C1COCC1.O>[CH2:1]([O:8][C:9]1[CH:17]=[C:16]2[C:12]([CH:13]=[N:14][N:15]2[CH:18]2[CH2:23][CH2:22][CH2:21][CH2:20][O:19]2)=[CH:11][CH:10]=1)[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1.[CH3:29][N:31]([CH3:32])[C:36](=[O:41])[CH2:37][CH3:38] | 2 |
[CH3:1][O:2][N:3]([CH3:18])[C:4]([CH:6]1[CH2:10][CH2:9][N:8](CC2C=CC=CC=2)[CH2:7]1)=[O:5].Cl[C:20]([O:22][CH2:23][C:24]1[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=1)=[O:21]>ClCCl>[CH2:23]([O:22][C:20]([N:8]1[CH2:9][CH2:10][CH:6]([C:4](=[O:5])[N:3]([O:2][CH3:1])[CH3:18])[CH2:7]1)=[O:21])[C:24]1[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=1 | 2 |
[C:1]12([C:11]3[CH:12]=[C:13]([C:19]4[CH:20]=[C:21]([CH:31]=[CH:32][CH:33]=4)[CH:22]=[C:23]4[S:27][C:26](SC)=[N:25][C:24]4=[O:30])[CH:14]=[C:15]([F:18])[C:16]=3[OH:17])[CH2:10][CH:5]3[CH2:6][CH:7]([CH2:9][CH:3]([CH2:4]3)[CH2:2]1)[CH2:8]2.[NH2:34][C:35]([NH2:37])=[NH:36]>>[C:1]12([C:11]3[CH:12]=[C:13]([C:19]4[CH:20]=[C:21]([CH:31]=[CH:32][CH:33]=4)[CH:22]=[C:23]4[S:27][C:26]([NH:36][C:35]([NH2:37])=[NH:34])=[N:25][C:24]4=[O:30])[CH:14]=[C:15]([F:18])[C:16]=3[OH:17])[CH2:8][CH:7]3[CH2:6][CH:5]([CH2:4][CH:3]([CH2:9]3)[CH2:2]1)[CH2:10]2 | 2 |
C(C)OC(=O)C=1C(=NN2C1C=CC=C2)C2=NC(=CC=C2)C>>CC1=CC=CC(=N1)C1=NN2C(C=CC=C2)=C1C(=O)O | 5 |
[Br:1][C:2]1[CH:10]=[CH:9][CH:8]=[C:7]2[C:3]=1[CH:4]=[N:5][NH:6]2.Br[CH2:12][C:13]1[CH:18]=[CH:17][CH:16]=[C:15]([F:19])[CH:14]=1>>[Br:1][C:2]1[C:3]2[C:7]([CH:8]=[CH:9][CH:10]=1)=[N:6][N:5]([CH2:12][C:13]1[CH:18]=[CH:17][CH:16]=[C:15]([F:19])[CH:14]=1)[CH:4]=2 | 2 |
[F:1][C:2]1[C:3]([C:22]([OH:24])=O)=[N:4][CH:5]=[CH:6][C:7]=1[S:8][C:9]1[S:13][C:12]([NH:14][C:15]2[CH:20]=[C:19]([CH3:21])[CH:18]=[CH:17][N:16]=2)=[N:11][CH:10]=1.[NH2:25][CH2:26][C:27]1([C:40]2[CH:41]=[N:42][CH:43]=[CH:44][CH:45]=2)[CH2:32][CH2:31][N:30]([C:33]([O:35][C:36]([CH3:39])([CH3:38])[CH3:37])=[O:34])[CH2:29][CH2:28]1>>[F:1][C:2]1[C:3]([C:22]([NH:25][CH2:26][C:27]2([C:40]3[CH:41]=[N:42][CH:43]=[CH:44][CH:45]=3)[CH2:28][CH2:29][N:30]([C:33]([O:35][C:36]([CH3:38])([CH3:39])[CH3:37])=[O:34])[CH2:31][CH2:32]2)=[O:24])=[N:4][CH:5]=[CH:6][C:7]=1[S:8][C:9]1[S:13][C:12]([NH:14][C:15]2[CH:20]=[C:19]([CH3:21])[CH:18]=[CH:17][N:16]=2)=[N:11][CH:10]=1 | 1 |
O.O.[Cl-:3].[Ca+2:4].[Cl-].N[C@H](C(O)=O)CC(C)C.O.O.[C:17]([O-:29])(=[O:28])[CH2:18][C:19]([CH2:24][C:25]([O-:27])=[O:26])([C:21]([O-:23])=[O:22])[OH:20].[Na+:30].[Na+].[Na+]>>[C:17]([O-:29])(=[O:28])[CH2:18][C:19]([CH2:24][C:25]([O-:27])=[O:26])([C:21]([O-:23])=[O:22])[OH:20].[Ca+2:4].[C:17]([O-:29])(=[O:28])[CH2:18][C:19]([CH2:24][C:25]([O-:27])=[O:26])([C:21]([O-:23])=[O:22])[OH:20].[Ca+2:4].[Ca+2:4].[Cl-:3].[Na+:30] | 2 |
ClC1=C(C(=CC=C1)Cl)N=C=S.Cl.Cl.NC1=C(SC(=C1N)C)C>>NC1=C(SC(=C1NC(=S)NC1=C(C=CC=C1Cl)Cl)C)C | 5 |
[C:1]1([S:7]([O:10][C:11]2[CH:22]=[CH:21][C:14]3[S:15][CH:16]=[C:17]([C:18](O)=[O:19])[C:13]=3[CH:12]=2)(=[O:9])=[O:8])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.S(Cl)([Cl:25])=O>CN(C)C=O.C1(C)C=CC=CC=1>[C:1]1([S:7]([O:10][C:11]2[CH:22]=[CH:21][C:14]3[S:15][CH:16]=[C:17]([C:18]([Cl:25])=[O:19])[C:13]=3[CH:12]=2)(=[O:9])=[O:8])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1 | 1 |
[C:1]([NH:4][C:5]1[CH:6]=[C:7]([CH:14]=[C:15]([S:17]([F:22])([F:21])([F:20])([F:19])[F:18])[CH:16]=1)[C:8](N(OC)C)=[O:9])(=[O:3])[CH3:2].[CH3:23][Si](C)(C)[N-][Si](C)(C)C.[Li+].COCCCC.C[Mg]Br.Cl>C1COCC1.C(OCC)(=O)C.O>[C:8]([C:7]1[CH:6]=[C:5]([NH:4][C:1](=[O:3])[CH3:2])[CH:16]=[C:15]([S:17]([F:22])([F:18])([F:20])([F:21])[F:19])[CH:14]=1)(=[O:9])[CH3:23] | 1 |
C(CCC)C=1N(C(=C(N1)Cl)C(=O)O)CC1=CC=C(C=C1)C1=C(C=CC=C1)C1=NN=NN1C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1.P(=O)(OCCl)(OC)O[C@@H]1[C@@H]2[C@H](OC1)[C@@H](CO2)O[N+](=O)[O-]>>C(CCC)C=1N(C(=C(N1)Cl)C(=O)OCOP(=O)(O[C@@H]1[C@@H]2[C@H](OC1)[C@@H](CO2)O[N+](=O)[O-])OC)CC2=CC=C(C=C2)C2=C(C=CC=C2)C2=NN=NN2C(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2 | 5 |
IC.[C:3](=O)([O-])[O-].[K+].[K+].[C:9]([O:13][C:14]([N:16]([CH3:26])[C@H:17]([C:22]([NH:24][CH3:25])=[O:23])[C:18](=[O:21])[O:19][CH3:20])=[O:15])([CH3:12])([CH3:11])[CH3:10]>C(#N)C>[C:9]([O:13][C:14]([N:16]([CH3:26])[C@:17]([CH3:3])([C:22]([NH:24][CH3:25])=[O:23])[C:18](=[O:21])[O:19][CH3:20])=[O:15])([CH3:11])([CH3:10])[CH3:12] | 1 |
C(C)(C)(C)OC(=O)NC1CNCCC1.C(C)(C)(C)OC(=O)N[C@@H](CC(=O)N1CC=2N(CC1)C(=NC2C(=O)O)C(F)(F)F)CC2=C(C=C(C(=C2)F)F)F>>C(C)(C)(C)OC(N[C@H]1CN(CCC1)C(=O)C=1N=C(N2C1CN(CC2)C(CC(CC2=C(C=C(C(=C2)F)F)F)NC(=O)OC(C)(C)C)=O)C(F)(F)F)=O | 5 |
C1(=CC=CC=C1)O.C(CCCCC(=O)NN)(=O)NN>C(=O)(Cl)Cl>O1C(=NNC1=O)CCCCC=1OC(NN1)=O | 3 |
P12(SP3(SP(SP(S3)(S1)=S)(=S)S2)=S)=[S:2].[F:15][C:16]([F:34])([F:33])[CH:17]1[CH:32]=[CH:31][C:20]2[S:21][C:22]3[CH:30]=[CH:29][CH:28]=[CH:27][C:23]=3[C:24](=O)[NH:25][C:19]=2[CH2:18]1.O>N1C=CC=CC=1>[F:15][C:16]([F:34])([F:33])[C:17]1[CH:32]=[CH:31][C:20]2[S:21][C:22]3[CH:30]=[CH:29][CH:28]=[CH:27][C:23]=3[C:24](=[S:2])[NH:25][C:19]=2[CH:18]=1 | 1 |
C(#C)C1=CC=C(C=C1)F>[Cu]I.N12CCN(CC1)CC2>FC1=CC=C(C=C1)C#CC#CC1=CC=C(C=C1)F | 3 |
CN.ClC(C(=O)OCC)=O>C1CCCO1.CCN(CC)CC>C(C)N(C(C(=O)O)=O)C | 3 |
[CH3:1][C:2]1[CH:3]=[C:4]([C:24]2[CH:25]=[C:26]([CH2:30]OS(C)(=O)=O)[CH:27]=[N:28][CH:29]=2)[CH:5]=[C:6]2[C:10]=1[C:9](=[O:11])[N:8]([CH2:12][C:13]1[CH:18]=[CH:17][C:16]([O:19][C:20]([F:23])([F:22])[F:21])=[CH:15][CH:14]=1)[CH2:7]2.[CH3:36][NH:37][CH3:38]>C1COCC1.O>[CH3:36][N:37]([CH2:30][C:26]1[CH:25]=[C:24]([C:4]2[CH:5]=[C:6]3[C:10](=[C:2]([CH3:1])[CH:3]=2)[C:9](=[O:11])[N:8]([CH2:12][C:13]2[CH:14]=[CH:15][C:16]([O:19][C:20]([F:23])([F:22])[F:21])=[CH:17][CH:18]=2)[CH2:7]3)[CH:29]=[N:28][CH:27]=1)[CH3:38] | 1 |
COC(CCC(C1=CC=CC=C1)N=O)=O>C1CCCO1.B>N(=O)C(CCCO)C1=CC=CC=C1 | 3 |
C(C)(C)[C@]1(C[C@@H](CC1)N)C(=O)N1CCC(=CC1)C1=NC=CC(=C1)C(F)(F)F.COC1COCCC1=O>ClCCl.CCN(CC)CC.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>C(C)(C)[C@]1(C[C@@H](CC1)NC1C(COCC1)OC)C(=O)N1CCC(=CC1)C1=NC=CC(=C1)C(F)(F)F | 3 |
C(C)(C)(C)OC(=O)N1CC2(C1)CNCC2=NOC.C1(CC1)N1C=C(C(C2=CC(=C(C(=C12)F)F)F)=O)C(=O)O>CC#N>C(C)(C)(C)OC(=O)N1CC2(C1)CN(CC2=NOC)C2=C(C=C1C(C(=CN(C1=C2F)C2CC2)C(=O)O)=O)F | 3 |
N(OC(C)(C)C)=O.[F:8][C:9]1[CH:10]=[C:11]([CH:13]=[CH:14][C:15]=1[CH3:16])N.[CH3:17][S:18]SC>C(Cl)(Cl)Cl>[F:8][C:9]1[CH:10]=[C:11]([S:18][CH3:17])[CH:13]=[CH:14][C:15]=1[CH3:16] | 1 |
NC=1C=CC2=C(B(OC2)O)C1.BrC1=C(C=CC(=C1)NC(C(F)(F)F)=O)S(=O)(=O)Cl>>BrC=1C=C(C=CC1S(NC=1C=CC2=C(B(OC2)O)C1)(=O)=O)NC(C(F)(F)F)=O | 5 |
I[C:2]1[CH:7]=[CH:6][CH:5]=[C:4]([O:8][CH3:9])[CH:3]=1.[NH:10]1[C:18]2[C:13](=[CH:14][C:15]([CH2:19][N:20]3[CH2:25][CH2:24][CH:23]([C:26]4[CH:27]=[C:28]([NH:32][C:33](=[O:37])[CH:34]([CH3:36])[CH3:35])[CH:29]=[CH:30][CH:31]=4)[CH2:22][CH2:21]3)=[CH:16][CH:17]=2)[CH:12]=[CH:11]1>>[CH3:9][O:8][C:4]1[CH:3]=[C:2]([N:10]2[C:18]3[C:13](=[CH:14][C:15]([CH2:19][N:20]4[CH2:25][CH2:24][CH:23]([C:26]5[CH:27]=[C:28]([NH:32][C:33](=[O:37])[CH:34]([CH3:35])[CH3:36])[CH:29]=[CH:30][CH:31]=5)[CH2:22][CH2:21]4)=[CH:16][CH:17]=3)[CH:12]=[CH:11]2)[CH:7]=[CH:6][CH:5]=1 | 1 |
C(C)=O.NC=1C=C(C#N)C=CC1>>C(C)NC=1C=C(C#N)C=CC1 | 5 |
[N:1]([C@@H:4]1[CH2:7][C@H:6]([CH2:8][NH:9][C:10](=[O:16])[O:11][C:12]([CH3:15])([CH3:14])[CH3:13])[CH2:5]1)=[N+]=[N-].C=O.[CH3:19][C:20]([CH3:22])=O>[Pd].CC([O-])=O.CC([O-])=O.[Pb+2].[C].[Pd]>[CH:20]([NH:1][C@@H:4]1[CH2:7][C@H:6]([CH2:8][NH:9][C:10](=[O:16])[O:11][C:12]([CH3:15])([CH3:14])[CH3:13])[CH2:5]1)([CH3:22])[CH3:19] | 2 |
[CH3:1][S:2]([OH:5])(=[O:4])=[O:3].[CH2:6]([N:13]([CH2:15][C:16]([C:18]1[CH:23]=[CH:22][C:21]([OH:24])=[C:20]([OH:25])[CH:19]=1)=[O:17])[CH3:14])[C:7]1[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=1.[CH3:26][C:27]([CH3:34])([CH2:31][CH2:32][CH3:33])[C:28](Cl)=[O:29].[CH3:35][C:36]([CH3:43])([CH2:40][CH2:41][CH3:42])[C:37](O)=[O:38]>>[CH3:1][S:2]([OH:5])(=[O:4])=[O:3].[C:6]([N:13]([CH2:15][C:16]([C:18]1[CH:23]=[CH:22][C:21]([O:24][C:28](=[O:29])[C:27]([CH3:34])([CH3:26])[CH2:31][CH2:32][CH3:33])=[C:20]([O:25][C:37](=[O:38])[C:36]([CH3:43])([CH3:35])[CH2:40][CH2:41][CH3:42])[CH:19]=1)=[O:17])[CH3:14])(=[O:3])[C:7]1[CH:8]=[CH:9][CH:10]=[CH:11][CH:12]=1 | 1 |
ICC(=O)NCCOCCOCCNC(OCC1C2=CC=CC=C2C=2C=CC=CC12)=O.O[C@H]1[C@@H](O[C@H]([C@@H]([C@H]1OC)O)C)OC1=C(C(=C(C(=C1OC)OC)C(S[C@@H]1[C@H](O[C@H](C[C@@H]1O)ON[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1O)O[C@@H]1OC[C@@H]([C@H](C1)OC)NCC)O[C@@H]1C\2=C(C(C[C@@](C#CC=CC#C1)(/C2=C/CSSC2=NC=CC=C2)O)=O)NC(=O)OC)C)C)=O)C)I>C(C)(C)N(C(C)C)CC.CN(C(C)=O)C>O[C@H]1[C@@H](O[C@H]([C@@H]([C@H]1OC)O)C)OC1=C(C(=C(C(=C1OC)OC)C(S[C@@H]1[C@H](O[C@H](C[C@@H]1O)ON[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1O)O[C@@H]1OC[C@@H]([C@H](C1)OC)N(CC(NCCOCCOCCNC(OCC1C2=CC=CC=C2C=2C=CC=CC12)=O)=O)CC)O[C@@H]1C\2=C(C(C[C@@](C#CC=CC#C1)(/C2=C/CSSC2=NC=CC=C2)O)=O)NC(=O)OC)C)C)=O)C)I | 3 |
FC(C1=NNC(=N1)C(F)(F)F)(F)F.CS(=O)(=O)OCC1=CC(=C(C(=O)OC)C=C1)[N+](=O)[O-]>CC#N.C([O-])([O-])=O.[K+].[K+]>FC(C1=NN(C(=N1)C(F)(F)F)CC1=CC(=C(C(=O)OC)C=C1)[N+](=O)[O-])(F)F | 3 |
[CH2:1]([C:5]1[N:6]([CH2:17][C:18]2[CH:23]=[CH:22][CH:21]=[CH:20][C:19]=2[Cl:24])[C:7](/[CH:10]=[CH:11]\[C:12]([O:14]CC)=[O:13])=[CH:8][N:9]=1)[CH2:2][CH2:3][CH3:4].N1C=CN=C1>>[CH2:1]([C:5]1[N:6]([CH2:17][C:18]2[CH:23]=[CH:22][CH:21]=[CH:20][C:19]=2[Cl:24])[C:7](/[CH:10]=[CH:11]\[C:12]([OH:14])=[O:13])=[CH:8][N:9]=1)[CH2:2][CH2:3][CH3:4] | 1 |
CO/N=C(/C1OCCON=1)\C1C=CC=CC=1[O:11][C:12]1[N:17]=[CH:16][N:15]=[C:14]([O:18]C2C=CC=CC=2Cl)[C:13]=1[F:26].C(OCC)(=O)CC(OCC)=O.S(Cl)(Cl)(=O)=O.ClC(C(OCC)=O)C(OCC)=O.FC(C(OCC)=O)C(OCC)=O>C(N)=O>[F:26][C:13]1[C:14]([OH:18])=[N:15][CH:16]=[N:17][C:12]=1[OH:11] | 1 |
[NH2:1][C:2]1[N:7]=[C:6]([NH:8][CH2:9][CH2:10][C:11]2[CH:16]=[CH:15][C:14]([S:17]([NH2:20])(=[O:19])=[O:18])=[CH:13][CH:12]=2)[CH:5]=[C:4](Cl)[N:3]=1.[F:22][C:23]1[CH:28]=[CH:27][C:26](B(O)O)=[C:25]([CH3:32])[C:24]=1[CH3:33]>>[NH2:1][C:2]1[N:7]=[C:6]([NH:8][CH2:9][CH2:10][C:11]2[CH:16]=[CH:15][C:14]([S:17]([NH2:20])(=[O:19])=[O:18])=[CH:13][CH:12]=2)[CH:5]=[C:4]([C:26]2[CH:27]=[CH:28][C:23]([F:22])=[C:24]([CH3:33])[C:25]=2[CH3:32])[N:3]=1 | 2 |
[NH2:1][CH2:2][CH2:3][C:4]1[S:5][C:6]2[CH:32]=[CH:31][CH:30]=[CH:29][C:7]=2[N:8]([CH2:12][C:13]2[CH:18]=[CH:17][C:16]([NH:19][C:20](=[O:28])[C:21]3[CH:26]=[CH:25][CH:24]=[CH:23][C:22]=3[CH3:27])=[CH:15][CH:14]=2)[C:9](=[O:11])[CH:10]=1.[CH3:33][O:34][C:35]1[CH:42]=[C:41]([O:43][CH3:44])[CH:40]=[CH:39][C:36]=1[CH:37]=O.C([BH3-])#N.[Na+].[OH-].[Na+]>CO.C(O)(=O)C>[CH3:33][O:34][C:35]1[CH:42]=[C:41]([O:43][CH3:44])[CH:40]=[CH:39][C:36]=1[CH2:37][NH:1][CH2:2][CH2:3][C:4]1[S:5][C:6]2[CH:32]=[CH:31][CH:30]=[CH:29][C:7]=2[N:8]([CH2:12][C:13]2[CH:14]=[CH:15][C:16]([NH:19][C:20](=[O:28])[C:21]3[CH:26]=[CH:25][CH:24]=[CH:23][C:22]=3[CH3:27])=[CH:17][CH:18]=2)[C:9](=[O:11])[CH:10]=1 | 1 |
CN1N=NC2=C1C=CC(=C2C)C(CC(=O)OCC)C2=CC(=C(C=C2)C)CN2S(C1=C(O[C@@H](C2)C)C=NC=C1)(=O)=O>O.C1CCCO1.[OH-].[Li+]>CN1N=NC2=C1C=CC(=C2C)C(CC(=O)O)C2=CC(=C(C=C2)C)CN2S(C1=C(O[C@@H](C2)C)C=NC=C1)(=O)=O | 3 |
Cl.[NH2:2][CH2:3][C:4](=O)[CH2:5][CH2:6][C:7]([OH:9])=[O:8].[CH3:11][C:12]1([CH3:20])[CH2:17][C:16](=[O:18])[CH2:15][C:14](=O)[CH2:13]1.C([O-])(=O)C.[Na+]>O>[CH3:11][C:12]1([CH3:20])[CH2:13][C:14]2[NH:2][CH:3]=[C:4]([CH2:5][CH2:6][C:7]([OH:9])=[O:8])[C:15]=2[C:16](=[O:18])[CH2:17]1 | 1 |
[CH3:1][O:2][CH2:3][C:4]1([NH:20][C:21]2[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=2)[CH2:9][CH2:8][N:7]([C:10]([O:12][CH2:13][C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)=[O:11])[CH2:6][CH2:5]1.[C:27](Cl)(=[O:31])[O:28][CH2:29][CH3:30]>>[CH2:29]([O:28][C:27]([N:20]([C:21]1[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1)[C:4]1([CH2:3][O:2][CH3:1])[CH2:5][CH2:6][N:7]([C:10]([O:12][CH2:13][C:14]2[CH:15]=[CH:16][CH:17]=[CH:18][CH:19]=2)=[O:11])[CH2:8][CH2:9]1)=[O:31])[CH3:30] | 1 |
C([N:8]1[CH2:13][CH:12]=[C:11]([C:14]2[CH:19]=[CH:18][CH:17]=[C:16]([CH:20]3[N:24]([C:25]4[CH:30]=[CH:29][CH:28]=[CH:27][C:26]=4[Cl:31])[N:23]=[C:22]([C:32]([F:38])([F:37])[C:33]([F:36])([F:35])[F:34])[CH2:21]3)[N:15]=2)[CH2:10][CH2:9]1)(OC(C)(C)C)=O.[F:39][C:40]([F:45])([F:44])[C:41]([OH:43])=[O:42]>ClCCl>[F:39][C:40]([F:45])([F:44])[C:41]([OH:43])=[O:42].[Cl:31][C:26]1[CH:27]=[CH:28][CH:29]=[CH:30][C:25]=1[N:24]1[CH:20]([C:16]2[N:15]=[C:14]([C:11]3[CH2:12][CH2:13][NH:8][CH2:9][CH:10]=3)[CH:19]=[CH:18][CH:17]=2)[CH2:21][C:22]([C:32]([F:38])([F:37])[C:33]([F:35])([F:34])[F:36])=[N:23]1 | 1 |
[CH3:1][CH:2]([CH3:18])[C:3]([C:5]1[C:13]2[C:8](=[CH:9][C:10]([C:14]([F:17])([F:16])[F:15])=[CH:11][CH:12]=2)[NH:7][CH:6]=1)=O.B.Cl>C1COCC1>[CH3:1][CH:2]([CH3:18])[CH2:3][C:5]1[C:13]2[C:8](=[CH:9][C:10]([C:14]([F:17])([F:15])[F:16])=[CH:11][CH:12]=2)[NH:7][CH:6]=1 | 2 |
B(Br)(Br)Br.C[O:6][C:7]1[CH:15]=[CH:14][C:13]2[NH:12][C:11]3[CH:16]([CH2:19][C:20]([O:22][CH2:23][CH3:24])=[O:21])[CH2:17][CH2:18][C:10]=3[C:9]=2[CH:8]=1.C([O-])([O-])=O.[K+].[K+]>C(Cl)Cl>[OH:6][C:7]1[CH:15]=[CH:14][C:13]2[NH:12][C:11]3[CH:16]([CH2:19][C:20]([O:22][CH2:23][CH3:24])=[O:21])[CH2:17][CH2:18][C:10]=3[C:9]=2[CH:8]=1 | 1 |
[Cl:1][C:2]1[C:34]([O:35][C:36]([C:39]#[N:40])([CH3:38])[CH3:37])=[CH:33][CH:32]=[CH:31][C:3]=1[C:4]([NH:6][C:7]1[CH:12]=[C:11]([N:13]([C:15]2[N:20]=[C:19]3[S:21][C:22]([NH:24][C:25]([CH:27]4[CH2:29][CH2:28]4)=[O:26])=[N:23][C:18]3=[CH:17][CH:16]=2)[CH3:14])[CH:10]=[CH:9][C:8]=1[F:30])=[O:5].[S:41](=[O:45])(=[O:44])([OH:43])[OH:42]>C(OCC)(=O)C.CCCCCCC>[S:41]([OH:45])([OH:44])(=[O:43])=[O:42].[Cl:1][C:2]1[C:34]([O:35][C:36]([C:39]#[N:40])([CH3:38])[CH3:37])=[CH:33][CH:32]=[CH:31][C:3]=1[C:4]([NH:6][C:7]1[CH:12]=[C:11]([N:13]([C:15]2[N:20]=[C:19]3[S:21][C:22]([NH:24][C:25]([CH:27]4[CH2:29][CH2:28]4)=[O:26])=[N:23][C:18]3=[CH:17][CH:16]=2)[CH3:14])[CH:10]=[CH:9][C:8]=1[F:30])=[O:5] | 1 |
C(C)(C)(C)OC(=O)N1CCN(CC1)C1=NC=C(C=C1)[N+](=O)[O-]>ClCCl.C(=O)(C(F)(F)F)O>[N+](=O)([O-])C=1C=CC(=NC1)N1CCNCC1 | 3 |
O[C@H]1[C@@H](CN(CC1)C(=O)OC(C)(C)C)NC(=O)C=1SC=2N=CC=C3N(C(NC1C23)=O)C2=CC=C(C=C2)OC2=CC=CC=C2>ClCCl.C(=O)(C(F)(F)F)O>O[C@H]1[C@@H](CNCC1)NC(=O)C=1SC=2N=CC=C3N(C(NC1C23)=O)C2=CC=C(C=C2)OC2=CC=CC=C2 | 3 |
[CH2:1]([C:3]1([C:15]2[CH:16]=[C:17]([NH2:21])[CH:18]=[CH:19][CH:20]=2)[CH:8]2[CH:4]1[CH2:5][N:6]([CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH3:14])[CH2:7]2)[CH3:2].[CH3:22][S:23](Cl)(=[O:25])=[O:24]>N1C=CC=CC=1>[CH2:1]([C:3]1([C:15]2[CH:16]=[C:17]([NH:21][S:23]([CH3:22])(=[O:25])=[O:24])[CH:18]=[CH:19][CH:20]=2)[CH:8]2[CH:4]1[CH2:5][N:6]([CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH3:14])[CH2:7]2)[CH3:2] | 1 |
FC(C(=O)OC)C(=O)OC.FC(C(N)=N)F>Cl>FC(C=1NC(=C(C(N1)=O)F)O)F | 3 |
C(C)(C)(C)OC(COC1=C(C=C(C=C1)[N+](=O)[O-])Br)=O>>[N+](=O)([O-])C=1C=CC(=C(C1)C1=CC=CC=C1)OCC(=O)OC(C)(C)C | 5 |
CNCC(C(C(C(CO)O)O)O)O.FC1=CC=C(C=C1)N1C(C(C1C1=CC=C(C=C1)OCCCCCCCCI)CCC(O)C1=CC=C(C=C1)F)=O>N(C)(C)C=O>FC1=CC=C(C=C1)N1C(C(C1C1=CC=C(C=C1)OCCCCCCCCN(CC(C(C(C(CO)O)O)O)O)C)CCC(O)C1=CC=C(C=C1)F)=O | 3 |
C1(P(C2CCCCC2)C2C=CC=CC=2C2C(OC)=CC=CC=2OC)CCCCC1.P([O-])([O-])([O-])=O.[K+].[K+].[K+].[CH2:38]([C:40]([C:59]1[CH:64]=[CH:63][C:62](/[CH:65]=[CH:66]/[C:67]([C:73]([F:76])([F:75])[F:74])([OH:72])[C:68]([F:71])([F:70])[F:69])=[C:61]([CH3:77])[CH:60]=1)([C:43]1[CH:48]=[CH:47][C:46](B2OC(C)(C)C(C)(C)O2)=[C:45]([CH3:58])[CH:44]=1)[CH2:41][CH3:42])[CH3:39].[CH3:78][O:79][C:80](=[O:89])[CH2:81][C:82]1[CH:87]=[CH:86][CH:85]=[C:84](Br)[CH:83]=1>C1(C)C=CC=CC=1.C([O-])(=O)C.[Pd+2].C([O-])(=O)C.O>[CH3:78][O:79][C:80](=[O:89])[CH2:81][C:82]1[CH:83]=[C:84]([C:46]2[CH:47]=[CH:48][C:43]([C:40]([CH2:41][CH3:42])([C:59]3[CH:64]=[CH:63][C:62](/[CH:65]=[CH:66]/[C:67]([OH:72])([C:73]([F:75])([F:76])[F:74])[C:68]([F:71])([F:70])[F:69])=[C:61]([CH3:77])[CH:60]=3)[CH2:38][CH3:39])=[CH:44][C:45]=2[CH3:58])[CH:85]=[CH:86][CH:87]=1 | 1 |
OC[C@@H](C(=O)NCC1=NC=CC=N1)N1C(C2(C1)NCCC2)=O>ClCCl.CCN(CC)CC>OC[C@@H](C(=O)NCC1=NC=CC=N1)N1C(C2(C1)N(CCC2)C(C(C)C)=O)=O | 3 |
[Cl:1][C:2]1[CH:23]=[CH:22][C:5]([CH2:6][NH:7][C:8]([C:10]2[C:11](=[O:21])[C:12]3[S:18][C:17]([CH2:19][OH:20])=[CH:16][C:13]=3[NH:14][CH:15]=2)=[O:9])=[CH:4][CH:3]=1.C(=O)([O-])[O-].[K+].[K+].Cl[CH2:31][C:32]([N:34]([O:36][CH3:37])[CH3:35])=[O:33]>CN(C=O)C.O>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([CH2:6][NH:7][C:8]([C:10]2[C:11](=[O:21])[C:12]3[S:18][C:17]([CH2:19][OH:20])=[CH:16][C:13]=3[N:14]([CH2:31][C:32]([N:34]([O:36][CH3:37])[CH3:35])=[O:33])[CH:15]=2)=[O:9])=[CH:22][CH:23]=1 | 1 |
C(C)(C)I.FC(C=1C=C2C(=NC1)OC(=N2)C2=C(C=NC=C2)O)(F)F>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>C(C)(C)OC=1C=NC=CC1C=1OC2=NC=C(C=C2N1)C(F)(F)F | 3 |
Br[C:2]1[N:7]=[N:6][C:5]([C:8]2[CH:17]=[CH:16][C:15]3[C:10](=[CH:11][CH:12]=[CH:13][CH:14]=3)[CH:9]=2)=[C:4]([C:18]2[CH:23]=[CH:22][N:21]=[CH:20][CH:19]=2)[CH:3]=1.[CH:24]1(B(O)O)[CH2:26][CH2:25]1.C(Cl)Cl.C(=O)([O-])[O-].[K+].[K+]>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].[Ag]=O.O1CCOCC1>[CH:24]1([C:2]2[N:7]=[N:6][C:5]([C:8]3[CH:17]=[CH:16][C:15]4[C:10](=[CH:11][CH:12]=[CH:13][CH:14]=4)[CH:9]=3)=[C:4]([C:18]3[CH:23]=[CH:22][N:21]=[CH:20][CH:19]=3)[CH:3]=2)[CH2:26][CH2:25]1 | 2 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2([CH2:18][C:19]([OH:21])=O)[CH:15]3[CH2:16][CH:11]4[CH2:12][CH:13]([CH2:17][CH:9]2[CH2:10]4)[CH2:14]3)=[CH:4][CH:3]=1.[Cl-].[NH4+].O.O[N:26]1C2C=CC=CC=2N=N1.C(N(CC)C(C)C)(C)C.Cl.C(N=C=NCCCN(C)C)C.Cl>CN(C)C=O.C(OCC)(=O)C>[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2([CH2:18][C:19]([NH2:26])=[O:21])[CH:15]3[CH2:16][CH:11]4[CH2:12][CH:13]([CH2:17][CH:9]2[CH2:10]4)[CH2:14]3)=[CH:4][CH:3]=1 | 1 |
O.[OH-].[Li+].[Cl:4][C:5]1[CH:10]=[CH:9][C:8]([C@@H:11]2[CH2:16][O:15][CH2:14][C@@H:13]3[CH2:17][CH2:18][CH:19](P(=O)(OCC)OCC)[C:20](=[O:21])[N:12]23)=[CH:7][CH:6]=1.[CH3:30][O:31][C:32]1[CH:33]=[C:34]([CH:37]=[CH:38][C:39]=1[N:40]1[CH:44]=[C:43]([CH3:45])[N:42]=[CH:41]1)[CH:35]=O.C(OCC)(=O)C>C1COCC1.C(O)C.O>[Cl:4][C:5]1[CH:6]=[CH:7][C:8]([C@@H:11]2[CH2:16][O:15][CH2:14][C@@H:13]3[CH2:17][CH2:18]/[C:19](=[CH:35]\[C:34]4[CH:37]=[CH:38][C:39]([N:40]5[CH:44]=[C:43]([CH3:45])[N:42]=[CH:41]5)=[C:32]([O:31][CH3:30])[CH:33]=4)/[C:20](=[O:21])[N:12]23)=[CH:9][CH:10]=1 | 1 |
ClC=1C=C2C(=NC1)N(C=C2C2=NC=C(C(=N2)N[C@@H]2C[C@@](CCC2)(C(=O)OC)C)F)S(=O)(=O)C2=CC=C(C)C=C2>CO[H].[H-].[Na+]>ClC=1C=C2C(=NC1)NC=C2C2=NC=C(C(=N2)N[C@@H]2C[C@@](CCC2)(C(=O)OC)C)F | 3 |
O(C1=CC=CC=C1)C=1C=C(CO)C=CC1.CC(CC(=O)OCC)(C=C)C>C1(=CC=CC=C1)C.CC[O-].[Na+]>CC(CC(=O)OCC1=CC(=CC=C1)OC1=CC=CC=C1)(C=C)C | 3 |
[H-].[Na+].[CH3:3][S:4][C:5]1[NH:10][C:9]2=[N:11][C:12]([CH2:14][CH3:15])=[CH:13][C:8]2=[C:7]([Cl:16])[N:6]=1.[Cl:17][C:18]1[CH:19]=[C:20]([CH:23]=[CH:24][CH:25]=1)[CH2:21]Br>O1CCCC1.C(Cl)Cl>[CH3:3][S:4][C:5]1[N:6]=[C:7]([Cl:16])[C:8]2[CH:13]=[C:12]([CH2:14][CH3:15])[N:11]([CH2:21][C:20]3[CH:23]=[CH:24][CH:25]=[C:18]([Cl:17])[CH:19]=3)[C:9]=2[N:10]=1 | 1 |
[C:1]([C:3]1[CH:11]=[CH:10][CH:9]=[CH:8][C:4]=1[C:5]([OH:7])=O)#[N:2].ON1C2C=CC=CC=2N=N1.Cl.C(N=C=NCCCN(C)C)C.[CH2:34]([NH:39][CH2:40][C:41]([O:43][C:44]([CH3:47])([CH3:46])[CH3:45])=[O:42])[C:35]([CH3:38])([CH3:37])[CH3:36].CC(C)([O-])C.[K+].C(O)(=O)CC(CC(O)=O)(C(O)=O)O>CN(C=O)C.C1COCC1.O.C(#N)C.C(N(CC)CC)C>[NH2:2][C:1]1[C:3]2[C:4](=[CH:8][CH:9]=[CH:10][CH:11]=2)[C:5](=[O:7])[N:39]([CH2:34][C:35]([CH3:37])([CH3:38])[CH3:36])[C:40]=1[C:41]([O:43][C:44]([CH3:47])([CH3:46])[CH3:45])=[O:42] | 2 |
COC1C=CC(P2(SP(C3C=CC(OC)=CC=3)(=S)S2)=[S:10])=CC=1.[Br:23][C:24]1[CH:29]=[CH:28][CH:27]=[C:26]([Br:30])[C:25]=1[NH:31][C:32](=O)[CH2:33][C:34]1[CH:39]=[CH:38][CH:37]=[C:36]([C:40]([F:43])([F:42])[F:41])[CH:35]=1>C1(C)C=CC=CC=1>[Br:23][C:24]1[CH:29]=[CH:28][CH:27]=[C:26]([Br:30])[C:25]=1[NH:31][C:32](=[S:10])[CH2:33][C:34]1[CH:39]=[CH:38][CH:37]=[C:36]([C:40]([F:43])([F:42])[F:41])[CH:35]=1 | 2 |
NC=1C=2N(C=CN1)C(=NC2C2=CC=C(C=C2)C(NC2=NC=CC(=C2)C(F)(F)F)=O)[C@@H]2CC[C@H](N(C2)C(=O)NC)CO>>NC=1C=2N(C=CN1)C(=NC2C2=CC=C(C(=O)NC1=NC=CC(=C1)C(F)(F)F)C=C2)[C@@H]2CC[C@@H]1N(C2)C(N(C1)C)=O | 5 |
[CH2:1]([O:8][C@@H:9]([CH:14]([CH3:16])[CH3:15])[C:10]([O:12]C)=[O:11])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[OH-].[K+].Cl>O.CO>[CH2:1]([O:8][C@@H:9]([CH:14]([CH3:16])[CH3:15])[C:10]([OH:12])=[O:11])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 1 |
C(C1=CC=CC=C1)S(=O)(=O)Cl.N[C@@H](C)C(=O)N1[C@H](C(=O)O)CCC1>O.Cl.[OH-].[Na+].O1CCOCC1>C(C1=CC=CC=C1)S(=O)(=O)N[C@@H](C)C(=O)N1[C@@H](CCC1)C(=O)O | 3 |
N[C@@H](CC(=O)OCC1=CC=CC=C1)CC=1OC(=NN1)C1=CC=C(C=C1)OC1=CC=C(C=C1)F>CO[H].[HH].[Pd]>N[C@@H](CC(=O)O)CC=1OC(=NN1)C1=CC=C(C=C1)OC1=CC=C(C=C1)F | 3 |
[C:1]([O:5][C:6]([NH:8][C@@H:9]([CH2:14][CH2:15][CH2:16][C@H:17]([CH2:27][CH2:28][S:29][CH3:30])[C@@H:18]([O:22][CH2:23][CH:24]([CH3:26])[CH3:25])[C@@H:19]([OH:21])[CH3:20])[C:10]([O:12]C)=[O:11])=[O:7])([CH3:4])([CH3:3])[CH3:2].O[Li].O>C1COCC1.O>[C:1]([O:5][C:6]([NH:8][C@@H:9]([CH2:14][CH2:15][CH2:16][C@H:17]([CH2:27][CH2:28][S:29][CH3:30])[C@@H:18]([O:22][CH2:23][CH:24]([CH3:25])[CH3:26])[C@@H:19]([OH:21])[CH3:20])[C:10]([OH:12])=[O:11])=[O:7])([CH3:2])([CH3:4])[CH3:3] | 2 |
CC1CCC(NC1)C=1C=C2C=NNC2=CC1.NC1=C(C=C(C=N1)NC(C(=O)[O-])=O)C1CC1>N(C)(C)C=O.[Na].F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>NC1=C(C=C(C=N1)NC(C(=O)N1C(CCC(C1)C)C=1C=C2C=NNC2=CC1)=O)C1CC1 | 4 |
N1(CCC1)C(=O)C1=CC(=C(C=C1)OC=1C=C(C(=O)NC2=NN(C=C2)C)C=C(C1)O)Cl.O1C[C@H]1CC>CC#N.C([O-])([O-])=O.[K+].[K+]>N1(CCC1)C(=O)C1=CC(=C(C=C1)OC=1C=C(C(=O)NC2=NN(C=C2)C)C=C(C1)OC[C@@H](CC)O)Cl | 3 |
[Cl:1][C:2]1[C:3]([C:8]([OH:10])=[O:9])=[N:4][CH:5]=[CH:6][CH:7]=1.B(F)(F)F.[CH2:15](O)[CH3:16]>>[Cl:1][C:2]1[C:3]([C:8]([O:10][CH2:15][CH3:16])=[O:9])=[N:4][CH:5]=[CH:6][CH:7]=1 | 1 |
[CH3:1][S:2][C:3]1[N:4]=[CH:5][C:6]2[C:15](=[O:16])[N:14]([C:17]3[CH:18]=[C:19]([C:23]4[O:27][C:26](=[O:28])[NH:25][N:24]=4)[CH:20]=[CH:21][CH:22]=3)[CH2:13][C@H:12]3[N:8]([CH2:9][CH2:10][CH2:11]3)[C:7]=2[N:29]=1.C(=O)([O-])[O-].[K+].[K+].Cl[CH2:37][C:38](=[O:40])[CH3:39].O>CN(C=O)C>[CH3:1][S:2][C:3]1[N:4]=[CH:5][C:6]2[C:15](=[O:16])[N:14]([C:17]3[CH:18]=[C:19]([C:23]4[O:27][C:26](=[O:28])[N:25]([CH2:37][C:38](=[O:40])[CH3:39])[N:24]=4)[CH:20]=[CH:21][CH:22]=3)[CH2:13][C@H:12]3[N:8]([CH2:9][CH2:10][CH2:11]3)[C:7]=2[N:29]=1 | 1 |
C(OC(=O)C)(=O)C.NCC[N:11]1[C:15](=[O:16])[CH:14](CCCCCCCCC)[S:13][CH:12]1[C:26]1[CH:27]=[N:28][CH:29]=[CH:30][CH:31]=1.C([O-])(O)=O.[Na+]>N1C=CC=CC=1>[N:28]1[CH:29]=[CH:30][CH:31]=[C:26]([CH:12]2[NH:11][C:15](=[O:16])[CH2:14][S:13]2)[CH:27]=1 | 1 |
Cl.Cl.C[C@@H]1N[C@H](CNC1)C.CC=1N=C2N(N=C(C=C2C)C=2N=C3N(C(C2)=O)C=C(C=C3)F)C1>CCN(CC)CC.CS(=O)C.C(O)([O-])=O.[Na+]>CC=1N=C2N(N=C(C=C2C)C=2N=C3N(C(C2)=O)C=C(C=C3)N3C[C@@H](N[C@H](C3)C)C)C1 | 3 |
C(C1=CC=CC=C1)O.BrC1=CC=CC=2C(C3=NC(=CN3CCC21)C2=CC=CC=C2)OC2CCN(CC2)C>[Cu]I.C1(=CC=CC=C1)C.C(=O)([O-])[O-].[Cs+].[Cs+].CC=1C=NC2=C3N=CC(=C(C3=CC=C2C1C)C)C>C(C1=CC=CC=C1)OC1=CC=CC=2C(C3=NC(=CN3CCC21)C2=CC=CC=C2)OC2CCN(CC2)C | 3 |
[C:1]([NH:4][CH:5]([C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1)[CH2:6][NH:7][C:8](=[O:10])[CH3:9])(=[O:3])[CH3:2].C([O-])(O)=O.[Na+].[N+:22]([O-])([OH:24])=[O:23]>>[C:1]([NH:4][CH:5]([C:11]1[CH:12]=[CH:13][C:14]([N+:22]([O-:24])=[O:23])=[CH:15][CH:16]=1)[CH2:6][NH:7][C:8](=[O:10])[CH3:9])(=[O:3])[CH3:2] | 1 |
[Cl:1][C:2]1[CH:10]=[CH:9][C:8]([C:11]([F:14])([F:13])[F:12])=[CH:7][C:3]=1[C:4]([OH:6])=[O:5].[C:15](Cl)(=O)C(Cl)=O.CO>ClCCl.CN(C)C=O>[Cl:1][C:2]1[CH:10]=[CH:9][C:8]([C:11]([F:12])([F:13])[F:14])=[CH:7][C:3]=1[C:4]([O:6][CH3:15])=[O:5] | 1 |
N1N=C(C=C1)CC#N>>CN(\C=C(/C#N)\C1=NNC=C1)C | 5 |
C(CCC(=O)O)(=O)O.C(CCCCCC)(=O)Cl>>C(CCCC)C1C(CCC1=O)=O | 5 |
CC1(CC=2C(=C(N=C3C2C=2N=CNC(C2O3)=O)N(C)CC3=CC=CC=C3)CO1)C>P(=O)(Cl)(Cl)Cl>ClC1=C2C(=NC=N1)C=1C(O2)=NC(=C2C1CC(OC2)(C)C)N(C)CC2=CC=CC=C2 | 3 |
ClC1=C(C=C(C=C1)Cl)NC1=CC2=C(C(NN=C2)=O)C(=N1)NC1=C(C=C(C=C1)N1CCN(CC1)C(=O)OC(C)(C)C)OC>>ClC1=C(C=C(C=C1)Cl)NC1=CC2=C(C(NN=C2)=O)C(=N1)NC1=C(C=C(C=C1)N1CCNCC1)OC | 5 |
COC(=O)C=1C(OC2=CC=CC=C2C1O)=O>N(C)(C)C=O.C[O-].[Na+].NCC(=O)O>OC1=C(C(OC2=CC=CC=C12)=O)C(=O)NCC(=O)O | 3 |
[C:1]1([CH2:7][OH:8])[CH2:6][CH2:5][CH2:4][CH2:3][CH:2]=1.[C:9](O)(=[O:13])[C:10]([CH3:12])=[CH2:11].C1(C)C=CC(S(O)(=O)=O)=CC=1.COC1C=CC(O)=CC=1>C1(C)C=CC=CC=1>[C:9]([O:8][CH2:7][C:1]1[CH2:6][CH2:5][CH2:4][CH2:3][CH:2]=1)(=[O:13])[C:10]([CH3:12])=[CH2:11] | 1 |
[N+](C1C=C([N+]([O-])=O)C=CC=1O)([O-])=O.[NH2:14][N:15]1[CH:25]=[CH:24][C:18]([C:19]([O:21][CH2:22][CH3:23])=[O:20])=[CH:17][CH2:16]1.C(=O)([O-])[O-].[K+].[K+].[C:32]([O:38][CH2:39][CH3:40])(=[O:37])[CH2:33][C:34]([CH3:36])=O>C(O)C>[CH2:39]([O:38][C:32]([C:33]1[C:34]([CH3:36])=[N:14][N:15]2[CH:16]=[CH:17][C:18]([C:19]([O:21][CH2:22][CH3:23])=[O:20])=[CH:24][C:25]=12)=[O:37])[CH3:40] | 1 |
N#CBr.Cl.N1CCC(CC1)CCCO>>OCCCC1CCN(CC1)C#N | 5 |
[OH:1][C:2]1([CH3:15])[CH2:7][CH2:6][N:5]([C:8]([O:10][C:11]([CH3:14])([CH3:13])[CH3:12])=[O:9])[CH2:4][CH2:3]1.[H-].[Na+].[CH2:18](Br)[CH:19]=[CH2:20]>CN(C=O)C>[CH2:20]([O:1][C:2]1([CH3:15])[CH2:3][CH2:4][N:5]([C:8]([O:10][C:11]([CH3:14])([CH3:13])[CH3:12])=[O:9])[CH2:6][CH2:7]1)[CH:19]=[CH2:18] | 1 |
FC1=C(C(C(=O)O)=CC=C1F)C(=O)O>>FC1=C(C(=CC=C1F)CO)CO | 5 |
[Cl-:1].C(=[N:9][N+:10]1[CH:14]=[CH:13][N:12]([CH2:15][C:16]2[CH:21]=[C:20]([O:22][CH3:23])[C:19]([O:24][CH3:25])=[C:18]([O:26][CH3:27])[CH:17]=2)[C:11]=1[CH2:28][CH3:29])C1C=CC=CC=1.Cl>O>[Cl-:1].[NH2:9][N+:10]1[CH:14]=[CH:13][N:12]([CH2:15][C:16]2[CH:21]=[C:20]([O:22][CH3:23])[C:19]([O:24][CH3:25])=[C:18]([O:26][CH3:27])[CH:17]=2)[C:11]=1[CH2:28][CH3:29] | 1 |
OCCNC(CC)=O.ClC1=CC=C(C=C1)C(O)(C1=CN=CN1C)C=1C=C2C(=C(C(=NC2=CC1)Cl)C1=CC=CC=C1)Cl>C1(=CC=CC=C1)C.C(C)(=O)OCC.[H-].[Na+]>ClC1=C(C(=NC2=CC=C(C=C12)C(C1=CN=CN1C)(O)C1=CC=C(C=C1)Cl)OCCNC(CC)=O)C1=CC=CC=C1 | 3 |
[CH3:1][CH:2]([CH2:7][CH2:8][N:9]1[C:17]2[CH2:16][CH2:15][CH2:14][CH2:13][C:12]=2[C:11]([C:18]([F:21])([F:20])[F:19])=[N:10]1)[C:3]([O:5]C)=[O:4].[OH-].[Na+]>CO.C1COCC1>[CH3:1][CH:2]([CH2:7][CH2:8][N:9]1[C:17]2[CH2:16][CH2:15][CH2:14][CH2:13][C:12]=2[C:11]([C:18]([F:20])([F:19])[F:21])=[N:10]1)[C:3]([OH:5])=[O:4] | 2 |
[C:1]([CH2:4][N:5]1[C:15]2[C:10](=[CH:11][CH:12]=[CH:13][CH:14]=2)[CH2:9][C@H:8]([NH:16][C:17]([C:19]2[NH:20][C:21]3[C:26]([CH:27]=2)=[CH:25][C:24]([Cl:28])=[CH:23][CH:22]=3)=[O:18])[C:6]1=[O:7])(O)=[O:2].Cl.C(OCC)(=O)C>B.O1CCCC1>[OH:2][CH2:1][CH2:4][N:5]1[C:15]2[C:10](=[CH:11][CH:12]=[CH:13][CH:14]=2)[CH2:9][C@H:8]([NH:16][C:17]([C:19]2[NH:20][C:21]3[C:26]([CH:27]=2)=[CH:25][C:24]([Cl:28])=[CH:23][CH:22]=3)=[O:18])[C:6]1=[O:7] | 1 |
C(C)C(CC)(C1=CC(=C(C=C1)\C=C\C(C(F)(F)F)(C(F)(F)F)OCOC)C)C1=CC(=C(C=C1)O)C.OC[C@@H]1CCCC(O1)=O>C1(=CC=CC=C1)C.c3c(P(c1ccccc1)c2ccccc2)cccc3.N(=NC(=O)OCC)C(=O)OCC>C(C)C(CC)(C1=CC(=C(C=C1)\C=C\C(C(F)(F)F)(C(F)(F)F)OCOC)C)C1=CC(=C(OC[C@@H]2CCCC(O2)=O)C=C1)C | 3 |
[F:1][C:2]1[CH:7]=[C:6]([CH3:8])[CH:5]=[C:4]([F:9])[CH:3]=1.[Li]CCCC.CN([CH:18]=[O:19])C.S(=O)(=O)(O)O>CCOCC>[F:1][C:2]1[CH:7]=[C:6]([CH3:8])[CH:5]=[C:4]([F:9])[C:3]=1[CH:18]=[O:19] | 1 |
Cl.Cl.[NH2:3][C@H:4]1[C:8]2([CH2:10][CH2:9]2)[CH2:7][NH:6][CH2:5]1.C(N(CC)CC)C.F[B]F.[F:21][C:22]1[CH:23]=[C:24]2[C:29](=[C:30]([O:33][CH3:34])[C:31]=1F)[N:28]([C@@H:35]1[CH2:37][C@@H:36]1[F:38])[CH:27]=[C:26]([C:39]([OH:41])=[O:40])[C:25]2=[O:42]>CS(C)=O>[NH2:3][C@H:4]1[C:8]2([CH2:10][CH2:9]2)[CH2:7][N:6]([C:31]2[C:30]([O:33][CH3:34])=[C:29]3[C:24]([C:25](=[O:42])[C:26]([C:39]([OH:41])=[O:40])=[CH:27][N:28]3[C@@H:35]3[CH2:37][C@@H:36]3[F:38])=[CH:23][C:22]=2[F:21])[CH2:5]1 | 1 |
FC=1C=C(C=CC1)[C@@H]1N(CCC1)C=1C=CC=2N(N1)C(=CN2)C2=NC(=CC=C2)N2CCNCC2.CC1=CC=C(C=C1)S(=O)(=O)OCCCC=1C=C2C(N(CC2=CC1)C1C(NC(CC1)=O)=O)=O>CC#N.C([O-])([O-])=O.[K+].[K+].[I-].[Na+]>FC=1C=C(C=CC1)[C@@H]1N(CCC1)C=1C=CC=2N(N1)C(=CN2)C2=CC=CC(=N2)N2CCN(CC2)CCCC2=CC=C1CN(C(C1=C2)=O)C2C(NC(CC2)=O)=O | 3 |
Cl[C:2]1[N:11]=[C:10]([N:12]([C:14]2[CH:19]=[CH:18][C:17]([O:20][CH3:21])=[CH:16][CH:15]=2)[CH3:13])[C:9]2[C:4](=[CH:5][CH:6]=[C:7](C)[CH:8]=2)[N:3]=1.[CH2:23]([NH2:26])[CH2:24][NH2:25].FC(F)(F)C([O-])=O>>[NH2:25][CH2:24][CH2:23][NH:26][C:2]1[N:11]=[C:10]([N:12]([C:14]2[CH:15]=[CH:16][C:17]([O:20][CH3:21])=[CH:18][CH:19]=2)[CH3:13])[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[N:3]=1 | 2 |
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