smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[CH:1]([N:4]([CH:7]([CH3:9])[CH3:8])[CH2:5][CH3:6])([CH3:3])C.[CH:10]1([C:13]([OH:15])=O)[CH2:12][CH2:11]1.[CH3:16][N:17]([C:19]([O:23]N1N=NC2C=CC=NC1=2)=[N+:20]([CH3:22])[CH3:21])[CH3:18].F[P-](F)(F)(F)(F)F.[CH3:40][N:41]([CH:43]=O)C>>[CH:10]1([C:13]([N:41]2[CH2:43][CH2:8][CH:7]([N:4]3[CH2:1][CH2:3][CH:22]([N:20]4[C@H:21]5[CH2:13][CH2:10][CH2:11][CH2:12][C@@H:18]5[N:17]([CH3:16])[C:19]4=[O:23])[CH2:6][CH2:5]3)[CH2:9][CH2:40]2)=[O:15])[CH2:12][CH2:11]1 | 1 |
CN(C=O)C.C1(S([N:15]2[C:23]3[C:18](=[CH:19][C:20]([F:24])=[CH:21][CH:22]=3)[CH:17]=[C:16]2[C:25]2[CH:26]=[C:27]([C:31]([C:33]3[CH:38]=[C:37]([O:39][CH3:40])[C:36]([O:41][CH3:42])=[C:35]([O:43][CH3:44])[CH:34]=3)=[O:32])[CH:28]=[CH:29][CH:30]=2)(=O)=O)C=CC=CC=1.[OH-].[Na+]>O>[F:24][C:20]1[CH:19]=[C:18]2[C:23](=[CH:22][CH:21]=1)[NH:15][C:16]([C:25]1[CH:26]=[C:27]([C:31]([C:33]3[CH:38]=[C:37]([O:39][CH3:40])[C:36]([O:41][CH3:42])=[C:35]([O:43][CH3:44])[CH:34]=3)=[O:32])[CH:28]=[CH:29][CH:30]=1)=[CH:17]2 | 2 |
[Cl:1][C:2]1[N:7]=[C:6](Cl)[CH:5]=[C:4]([CH2:9][CH2:10][CH3:11])[N:3]=1.Cl.[NH:13]1[CH2:18][CH2:17][CH2:16][CH2:15][C@H:14]1[CH2:19][CH2:20][OH:21].C(N(CC)CC)C>CN(C)C=O>[Cl:1][C:2]1[N:7]=[C:6]([N:13]2[CH2:18][CH2:17][CH2:16][CH2:15][C@H:14]2[CH2:19][CH2:20][OH:21])[CH:5]=[C:4]([CH2:9][CH2:10][CH3:11])[N:3]=1 | 2 |
ICI.NC1=C(N=C(N1CC(C)(C)O)CCCC)C#N>>C(CCC)C=1N(C(=C(N1)C#N)I)CC(C)(C)O | 5 |
C(C)(C)(C)C1=CC=C(C=C1)O>C1(=CC=CC=C1)C.C([O-])([O-])=O.[K+].[K+].[O].Cl[Cu].N1=CC=CC2=CC=C3C=CC=NC3=C12>C(C)(C)(C)C1CCC(CC1)=O | 3 |
[CH3:1][N:2]1[C:6]2=[CH:7][CH:8]=[C:9]3[C:14]([N:13]=[C:12](Cl)[N:11]=[C:10]3[N:16]3[CH2:21][CH2:20][O:19][CH2:18][CH2:17]3)=[C:5]2[CH:4]=[CH:3]1.C([O-])([O-])=O.[Na+].[Na+]>>[NH:2]1[C:6]2[C:5](=[C:14]([C:12]3[N:11]=[C:10]([N:16]4[CH2:21][CH2:20][O:19][CH2:18][CH2:17]4)[C:9]4[C:14](=[C:5]5[CH:4]=[CH:3][N:2]([CH3:1])[C:6]5=[CH:7][CH:8]=4)[N:13]=3)[CH:9]=[CH:8][CH:7]=2)[CH:4]=[CH:3]1 | 2 |
[CH2:1]([N:3]1[C:8]([CH3:9])=[CH:7][C:6](=[O:10])[CH2:5][S:4]1(=[O:12])=[O:11])[CH3:2].[NH3:13]>CO>[CH2:1]([NH:3][S:4]([CH2:5][C:6](=[O:10])[CH:7]=[C:8]([NH2:13])[CH3:9])(=[O:12])=[O:11])[CH3:2] | 1 |
[CH3:1][O:2][C:3]1[CH:7]=[CH:6][S:5][C:4]=1[C:8]([O:10]C)=[O:9].[OH-].[Na+].Cl>C1COCC1>[CH3:1][O:2][C:3]1[CH:7]=[CH:6][S:5][C:4]=1[C:8]([OH:10])=[O:9] | 1 |
ClC1=C(C=CC=C1)C(C#N)C1=NC=CC=N1>C1CCCO1.[H-].[Na+]>ClC1=C(C(=O)C2=NC=CC=N2)C=CC=C1 | 3 |
ClC(C(=O)[O-])(F)F.[Na+].OC=1C=C2C(C(NC3(COC3)C2=CC1)=O)(C)C>N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+]>FC(OC=1C=C2C(C(NC3(COC3)C2=CC1)=O)(C)C)F | 3 |
C(=O)([O-])[O-].[K+].[K+].C1(S)C=CC=CC=1.[CH:14]([C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][C:18]=1[N:23]1[CH2:28][CH2:27][N:26](S(C2C=CC([N+]([O-])=O)=CC=2)(=O)=O)[CH2:25][CH2:24]1)([CH3:16])[CH3:15]>CC#N.CS(C)=O>[CH:14]([C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][C:18]=1[N:23]1[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]1)([CH3:16])[CH3:15] | 2 |
[C:1]1([C@@H:7]([N:9]2[C@@H:14]([C:15]([O:17][CH2:18][CH3:19])=[O:16])[C@H:13]3[CH2:20][C@@H:10]2[CH:11]=[CH:12]3)[CH3:8])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[CH:21]1CCCC=C[CH:22]=1>>[C:1]1([CH:7]([N:9]2[CH:14]([C:15]([O:17][CH2:18][CH3:19])=[O:16])[CH:13]3[CH:12]=[CH:11][CH:10]2[CH2:20][CH2:21][CH2:22]3)[CH3:8])[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=1 | 1 |
N1CCNCC1.FC1=CC=C(C2=CC=CC=C12)S(=O)(=O)NC1=CC=CC=2CCCCC12>CS(=O)C>N1(CCNCC1)C1=CC=C(C2=CC=CC=C12)S(=O)(=O)NC1=CC=CC=2CCCCC12 | 3 |
CC(CC=CC(C)=O)CC(C)C>[HH].[Cr](=O)([O-])[O-].[Cu+2]>CC(C)CC(CCCC(C)O)C | 3 |
[P].[NH3:2].[P:3]([O-:7])([O-:6])([O-:5])=[O:4].[NH4+].[NH4+].[NH4+].[P:11]([OH:14])([OH:13])[OH:12]>O>[P:3](=[O:4])([OH:7])([OH:6])[OH:5].[P:11]([OH:14])([OH:13])[OH:12].[NH3:2] | 1 |
NC1=CC=C(C=N1)NC(=O)C=1C=C(C(=O)OC)C=CC1C>O.C1CCCO1.O[Li].O>NC1=CC=C(C=N1)NC(=O)C=1C=C(C(=O)O)C=CC1C | 3 |
COC1=CC=C(C=C1)C(C(C1=CC=C(C=C1)C#N)N1C=NC=C1)(O)C1=CC=C(C=C1)OC>ClS(Cl)=O>COC1=CC=C(C=C1)C(=C(C1=CC=C(C=C1)C#N)N1C=NC=C1)C1=CC=C(C=C1)OC | 3 |
C1(=CC=CC=C1)[C@@H](C)N.C(C)(C)(C)OC(=O)N1CC(C(CC1)=O)(F)F>C1(=CC=CC=C1)C.ClCCl.C(C)(=O)OCC.C([O-])([O-])=O.[Na+].[Na+].C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>FC1(CN(CCC1N[C@H](C)C1=CC=CC=C1)C(=O)OC(C)(C)C)F | 3 |
BrC1=CC2=C(OCC(N2C)=O)N=C1C1=CC(=C(C=C1)F)C>C1CCCO1.Cl.B.C1CCOC1>BrC1=CC2=C(OCCN2C)N=C1C1=CC(=C(C=C1)F)C | 3 |
N1=CN=CC(=C1)B(O)O.BrC=1C=NC=C(C(=O)NC=2N=NC(=CC2)N2N=C(C=C2C(F)(F)F)C=2C=NC=CC2)C1>>N1=CC(=CC=C1)C1=NN(C(=C1)C(F)(F)F)C1=CC=C(N=N1)NC(C1=CN=CC(=C1)C=1C=NC=NC1)=O | 5 |
C1C=CN=CC=1.[CH:7]1[C:8]2[C:21]3=[CH:22][C@H:23]([OH:31])[C@H:24]4[O:29][P:27]([OH:30])(=[O:28])[O:26][C@H:25]4[C@@H:20]3[NH:19][C:17](=[O:18])[C:9]=2[C:10]([OH:16])=[C:11]2[O:15][CH2:14][O:13][C:12]=12.[H][H]>O>[CH:7]1[C:8]2[C:21]3=[CH:22][C@H:23]([OH:31])[C@H:24]4[O:29][P:27]([OH:30])(=[O:28])[O:26][C@H:25]4[C@@H:20]3[NH:19][C:17](=[O:18])[C:9]=2[C:10]([OH:16])=[C:11]2[O:15][CH2:14][O:13][C:12]=12 | 1 |
C(CC)(=O)C1N(CCC1)C(=O)OC(C)(C)C>COC(N(C)C)OC>CN(C=C(C(=O)C1N(CCC1)C(=O)OC(C)(C)C)C)C | 3 |
BrC=1C=C(C=CC1)OC>>BrC1=C(C=CC(=C1)OC)C(C)=O | 5 |
C(C)NC(C(C)C1=CC=C(C=C1)C#C[Si](C)(C)C)=O>>C(C)NC(C(C)C1=CC=C(C=C1)C#C)=O | 5 |
C(#N)C=1C=C(C(=O)O)C=CC1OC(C)C.C(C)C1=C(C=C2C=NN(C2=C1)CCCC(=O)OCC)C(=N)NO>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>C(#N)C=1C=C(C=CC1OC(C)C)C1=NC(=NO1)C=1C=C2C=NN(C2=CC1CC)CCCC(=O)OCC | 3 |
Br[C:2]1[CH:3]=[CH:4][C:5]([F:10])=[C:6]([CH:9]=1)[CH:7]=[O:8].[Cu][C:12]#[N:13].Cl.O>CN(C=O)C>[C:12]([C:2]1[CH:3]=[CH:4][C:5]([F:10])=[C:6]([CH:9]=1)[CH:7]=[O:8])#[N:13] | 1 |
C([O:4][C:5]1[CH:13]=[CH:12][C:11]([Br:14])=[CH:10][C:6]=1[C:7]([OH:9])=O)(=O)C.[NH2:15][C:16]1[O:17][C:18]([CH2:23][CH3:24])=[C:19]([CH2:21][CH3:22])[N:20]=1>>[Br:14][C:11]1[CH:12]=[CH:13][C:5]([OH:4])=[C:6]([CH:10]=1)[C:7]([NH:15][C:16]1[O:17][C:18]([CH2:23][CH3:24])=[C:19]([CH2:21][CH3:22])[N:20]=1)=[O:9] | 2 |
ClC=1C=C(C=CC1)NC1=NC=NC2=CC(=C(C(=C12)[N+](=O)[O-])OC)OC>O.CO[H].[Zn].[Cl-].[NH4+]>ClC=1C=C(C=CC1)NC1=NC=NC=2C=C(C(=C(C12)N)OC)OC | 3 |
[N:1]([C:4]1[CH:20]=[CH:19][C:7]([C:8]([NH:10][CH2:11][CH2:12][N:13]2[CH2:18][CH2:17][O:16][CH2:15][CH2:14]2)=[O:9])=[CH:6][CH:5]=1)=[N+:2]=[N-:3].O=[C:22]([CH2:29][CH2:30][CH3:31])[CH2:23][C:24]([O:26]CC)=[O:25].[O-]CC.[Na+:35]>C(O)C.C(OCC)(=O)C>[N:13]1([CH2:12][CH2:11][NH:10][C:8]([C:7]2[CH:6]=[CH:5][C:4]([N:1]3[C:22]([CH2:29][CH2:30][CH3:31])=[C:23]([C:24]([O-:26])=[O:25])[N:3]=[N:2]3)=[CH:20][CH:19]=2)=[O:9])[CH2:14][CH2:15][O:16][CH2:17][CH2:18]1.[Na+:35] | 1 |
[NH2:1][C:2]1[C:17]([OH:18])=[CH:16][CH:15]=[CH:14][C:3]=1[C:4]([NH:6][C:7]1[CH:12]=[CH:11][C:10]([Cl:13])=[CH:9][N:8]=1)=[O:5].[Cl:19]N1C(=O)CCC1=O>CN(C)C=O>[NH2:1][C:2]1[C:17]([OH:18])=[CH:16][C:15]([Cl:19])=[CH:14][C:3]=1[C:4]([NH:6][C:7]1[CH:12]=[CH:11][C:10]([Cl:13])=[CH:9][N:8]=1)=[O:5] | 1 |
C(OC1C=CC(OC2C=CC(C(CC)(C)C)=CC=2)=C([N+]([O-])=O)C=1)C1C=CC=CC=1.C([O-])=O.[K+].[NH2:34][C:35]1[C:36]([O:42][C:43]2[CH:48]=[CH:47][C:46]([C:49]([CH2:52][CH3:53])([CH3:51])[CH3:50])=[CH:45][CH:44]=2)=[CH:37][CH:38]=[C:39]([OH:41])[CH:40]=1.[C:54]([C:59]1[CH:73]=[C:72]([C:74]([CH2:77][CH3:78])([CH3:76])[CH3:75])[CH:71]=[CH:70][C:60]=1[O:61][CH:62]([CH2:66][CH2:67][CH2:68][CH3:69])[C:63](Cl)=[O:64])([CH2:57][CH3:58])([CH3:56])[CH3:55]>O.C1(C)C=CC=CC=1.[Pd].C(O)(C)C>[C:54]([C:59]1[CH:73]=[C:72]([C:74]([CH2:77][CH3:78])([CH3:75])[CH3:76])[CH:71]=[CH:70][C:60]=1[O:61][CH:62]([CH2:66][CH2:67][CH2:68][CH3:69])[C:63]([NH:34][C:35]1[C:36]([O:42][C:43]2[CH:48]=[CH:47][C:46]([C:49]([CH2:52][CH3:53])([CH3:50])[CH3:51])=[CH:45][CH:44]=2)=[CH:37][CH:38]=[C:39]([OH:41])[CH:40]=1)=[O:64])([CH2:57][CH3:58])([CH3:55])[CH3:56] | 1 |
C(C)(C)(C)OC(=O)N1CCN(CC1)C1=CC(=C(C=C1)[N+](=O)[O-])C(NC(COC(C)(C)C)C(=O)OC(C)(C)C)=O>>C(C)(C)(C)OC(=O)N1CCN(CC1)C1=CC(=C(C=C1)N)C(NC(COC(C)(C)C)C(=O)OC(C)(C)C)=O | 5 |
[CH3:1][N:2]([CH:10]1[CH2:15][CH2:14][N:13]([CH3:16])[CH2:12][CH2:11]1)[C:3]1[CH:8]=[CH:7][CH:6]=[C:5]([NH2:9])[N:4]=1.[CH:17]1([C:20]([Cl:22])=[O:21])[CH2:19][CH2:18]1>N1C=CC=CC=1>[ClH:22].[CH3:1][N:2]([CH:10]1[CH2:15][CH2:14][N:13]([CH3:16])[CH2:12][CH2:11]1)[C:3]1[N:4]=[C:5]([NH:9][C:20]([CH:17]2[CH2:19][CH2:18]2)=[O:21])[CH:6]=[CH:7][CH:8]=1 | 1 |
[Cl:1][C:2]1[CH:8]=[CH:7][C:5]([NH2:6])=[C:4]([F:9])[CH:3]=1.[Li]CCCC.Cl[Si](C)(C)CC[Si](Cl)(C)C.Cl[C:26]([O:28][CH2:29][C:30]1[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=1)=[O:27]>C1COCC1>[NH2:6][C:5]1[C:4]([F:9])=[C:3]([C:2]([Cl:1])=[CH:8][CH:7]=1)[C:26]([O:28][CH2:29][C:30]1[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=1)=[O:27] | 1 |
C(N(C(C)C)CC)(C)C.C1(P(Cl)(C2C=CC=CC=2)=O)C=CC=CC=1.[OH:25][C@@H:26]([C@H:28]1[C:48](=[O:49])[N:30]2[CH:31]([C:35]([O:37]CC3C=CC([N+]([O-])=O)=CC=3)=[O:36])[C:32](=O)[CH2:33][C@H:29]12)[CH3:27].Cl.[CH3:51][O:52][N:53]=[C:54]1[CH2:58][CH2:57][N:56]([C:59](=[NH:62])[CH2:60][SH:61])[CH2:55]1>C(#N)C.CS(C)=O.O1CCCC1.O.P([O-])([O-])([O-])=O.[C].[Pd].CCOCC>[CH3:51][O:52][N:53]=[C:54]1[CH2:58][CH2:57][N:56]([C:59](=[NH:62])[CH2:60][S:61][C:32]2[CH2:33][C@@H:29]3[C@@H:28]([C@H:26]([OH:25])[CH3:27])[C:48](=[O:49])[N:30]3[C:31]=2[C:35]([OH:37])=[O:36])[CH2:55]1 | 1 |
[F:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[NH:7][C:6](=[O:11])[C:5]2=[CH:12][C:13]1[CH:14]=[C:15]([CH:27]=[CH:28][CH:29]=1)[C:16]([NH:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][C:24](O)=[O:25])=[O:17].Cl.C(N=C=NCCCN(C)C)C.OC1C2N=NNC=2C=CC=1.C(N(CC)CC)C.[F:59][C:60]1[CH:65]=[CH:64][C:63]([NH2:66])=[C:62]([NH2:67])[CH:61]=1>[Cl-].[Na+].O.CN(C=O)C>[F:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[NH:7][C:6](=[O:11])[C:5]2=[CH:12][C:13]1[CH:14]=[C:15]([CH:27]=[CH:28][CH:29]=1)[C:16]([NH:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][C:24]([NH:66][C:63]1[CH:64]=[CH:65][C:60]([F:59])=[CH:61][C:62]=1[NH2:67])=[O:25])=[O:17] | 1 |
[Br-].C1(=CC=CC=C1)[Mg+].C[Si](C)(C)C[Mg]Cl.CC1C(C(C=2N(C=3C=CC=CC3C21)C2=CC=CC=C2)=O)C>C1CCCO1.C(C)OCC.Cl.[Cl-].[Li+].[Cl-].[NH4+].[Cl-].[Zn+2].[Cl-]>CC1C(=C(C=2N(C=3C=CC=CC3C21)C2=CC=CC=C2)C2=CC=CC=C2)C | 3 |
[H-].[Na+].[NH2:3][C:4]1[O:8][N:7]=[C:6]([CH3:9])[C:5]=1[Cl:10].C[O:12][C:13]([C:15]1[S:16][CH:17]=[CH:18][C:19]=1[S:20](Cl)(=[O:22])=[O:21])=[O:14]>O1CCCC1>[Cl:10][C:5]1[C:6]([CH3:9])=[N:7][O:8][C:4]=1[NH:3][S:20]([C:19]1[CH:18]=[CH:17][S:16][C:15]=1[C:13]([OH:14])=[O:12])(=[O:21])=[O:22] | 1 |
[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)OCC1C=C(C1)C=1C=C2C(N(C(=NC2=CC1)C1=CC(=CC=C1)Cl)CC(=O)OC)=O>>[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)OC[C@H]1C[C@H](C1)C=1C=C2C(N(C(=NC2=CC1)C1=CC(=CC=C1)Cl)CC(=O)OC)=O | 5 |
[C:1]([NH2:5])([CH3:4])([CH3:3])[CH3:2].[Cl:6][CH2:7][CH2:8][C:9](Cl)=[O:10].[OH-].[Na+]>ClCCl>[C:1]([NH:5][C:9](=[O:10])[CH2:8][CH2:7][Cl:6])([CH3:4])([CH3:3])[CH3:2] | 1 |
CS(=O)(=O)Cl.ClC=1C(=NC(=NC1C(=O)OC)C1=C(C(=C(C=C1)Cl)OC)F)NCC=C>>ClC1=C(C(=C(C=C1)C=1N=C(C2=C(N1)N(C=C2C)S(=O)(=O)C)C(=O)OC)F)OC | 5 |
C([N:8]1[CH2:13][CH2:12][C:11]2([C:17]3[CH:18]=[N:19][CH:20]=[CH:21][C:16]=3[CH2:15][O:14]2)[CH2:10][CH2:9]1)C1C=CC=CC=1>FC(F)(F)CO.[Pd]>[NH:8]1[CH2:9][CH2:10][C:11]2([C:17]3[CH:18]=[N:19][CH:20]=[CH:21][C:16]=3[CH2:15][O:14]2)[CH2:12][CH2:13]1 | 1 |
[C:1]1([CH3:16])[CH:6]=[CH:5][CH:4]=[C:3]([C:7]2[O:8][C:9]3[CH2:14][CH2:13][NH:12][CH2:11][C:10]=3[N:15]=2)[CH:2]=1.CCN(C(C)C)C(C)C.Cl[C:27]1[N:34]=[CH:33][CH:32]=[CH:31][C:28]=1[C:29]#[N:30]>CN(C=O)C>[C:1]1([CH3:16])[CH:6]=[CH:5][CH:4]=[C:3]([C:7]2[O:8][C:9]3[CH2:14][CH2:13][N:12]([C:27]4[N:34]=[CH:33][CH:32]=[CH:31][C:28]=4[C:29]#[N:30])[CH2:11][C:10]=3[N:15]=2)[CH:2]=1 | 2 |
Cl.Cl.[NH2:3][CH:4]1[CH2:13][CH:12]2[N:7]([CH2:8][CH2:9][C:10]3[CH:17]=[CH:16][CH:15]=[CH:14][C:11]=32)[CH2:6][CH2:5]1.C(N(CC)CC)C.[CH2:25]([S:27]([Cl:30])(=[O:29])=[O:28])[CH3:26].Cl>ClCCl.C(O)C.CO>[ClH:30].[CH2:25]([S:27]([NH:3][CH:4]1[CH2:13][CH:12]2[N:7]([CH2:8][CH2:9][C:10]3[CH:17]=[CH:16][CH:15]=[CH:14][C:11]=32)[CH2:6][CH2:5]1)(=[O:29])=[O:28])[CH3:26] | 1 |
COCCl.BrC=1C=C(C(=C(C=O)C1)O)C(C)(C)C>ClCCl>BrC=1C=C(C(=C(C=O)C1)OCOC)C(C)(C)C | 3 |
COS(=O)(=O)OC.C(=O)C1=C(C=CC=C1)NS(=O)(=O)C1=CC=C(C=C1)C(F)(F)F>O.CO[H].[OH-].[Na+]>C(=O)C1=C(C=CC=C1)N(S(=O)(=O)C1=CC=C(C=C1)C(F)(F)F)C | 3 |
[CH3:1][C:2]1([C:7]2[N:8]=[C:9]([CH2:12][N:13]3[CH:17]=[CH:16][C:15]([NH2:18])=[N:14]3)[S:10][CH:11]=2)[O:6]CCO1.[CH3:19][C:20]1[O:21][C:22]([C:28]2[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=2)=[C:23]([C:25](O)=[O:26])[N:24]=1>>[C:2]([C:7]1[N:8]=[C:9]([CH2:12][N:13]2[CH:17]=[CH:16][C:15]([NH:18][C:25]([C:23]3[N:24]=[C:20]([CH3:19])[O:21][C:22]=3[C:28]3[CH:29]=[CH:30][CH:31]=[CH:32][CH:33]=3)=[O:26])=[N:14]2)[S:10][CH:11]=1)(=[O:6])[CH3:1] | 1 |
CC=1NC=C(C1C(=O)O)C.N1(CCCC1)C[C@H]1CNCCC1>>ClC1=CC=C(C=C1)C1=C2/C(/C(NC2=CC=C1)=O)=C/C=1NC(=C(C1C)C(=O)N1C[C@@H](CCC1)CN1CCCC1)C | 5 |
ClC=1N=C(C2=C(N1)C=C(S2)C2(CCNCC2)OC)N2CCOCC2>>COC1(CCN(CC1)C)C1=CC=2N=CN=C(C2S1)N1CCOCC1 | 5 |
ClC1=NC=C(C=N1)C(=C)OCC>>BrCC(=O)C=1C=NC(=NC1)Cl | 5 |
[N:1]1([C:6]2[CH:12]=[CH:11][C:9]([NH2:10])=[CH:8][CH:7]=2)[CH:5]=[CH:4][N:3]=[CH:2]1.C(N(CC)CC)C.[Cl-].ClC1N(C)CC[NH+]1C.[CH3:29][O:30][C:31]1[C:32](=[O:55])[C:33]([CH3:54])=[C:34]([CH2:40][C:41]2[CH:42]=[CH:43][C:44]([O:50][C:51](=[O:53])[CH3:52])=[C:45]([CH:49]=2)[C:46](O)=[O:47])[C:35](=[O:39])[C:36]=1[O:37][CH3:38]>C(Cl)Cl>[CH3:29][O:30][C:31]1[C:32](=[O:55])[C:33]([CH3:54])=[C:34]([CH2:40][C:41]2[CH:42]=[CH:43][C:44]([O:50][C:51](=[O:53])[CH3:52])=[C:45]([CH:49]=2)[C:46]([NH:10][C:9]2[CH:11]=[CH:12][C:6]([N:1]3[CH:5]=[CH:4][N:3]=[CH:2]3)=[CH:7][CH:8]=2)=[O:47])[C:35](=[O:39])[C:36]=1[O:37][CH3:38] | 1 |
[CH3:1][C:2]1([CH3:15])[CH2:11][CH2:10][C:9]([CH3:13])([CH3:12])[C:8]2[CH:7]=[C:6](O)[CH:5]=[CH:4][C:3]1=2.[C:16]([C:18]1[CH:25]=[CH:24][C:21]([CH2:22]Cl)=[CH:20][CH:19]=1)#[N:17].[C:26](=[O:29])([O-])[O-].[K+].[K+].O>CC(=O)CC.CN(C)C=O>[C:16]([C:18]1[CH:25]=[CH:24][C:21]([CH2:22][C:4]2[C:3]3[C:2]([CH3:15])([CH3:1])[CH2:11][CH2:10][C:9]([CH3:13])([CH3:12])[C:8]=3[CH:7]=[CH:6][C:5]=2[O:29][C:26]2[CH:5]=[CH:4][C:3]3[C:2]([CH3:15])([CH3:1])[CH2:11][CH2:10][C:9]([CH3:13])([CH3:12])[C:8]=3[C:7]=2[CH2:22][C:21]2[CH:24]=[CH:25][C:18]([C:16]#[N:17])=[CH:19][CH:20]=2)=[CH:20][CH:19]=1)#[N:17] | 1 |
ClC=1N=C(C2=C(N1)NC=C2)N[C@H]2CN(CC[C@H]2O)C(=O)OC(C)(C)C>CO[H].CCO[H].Cl.[Pd].C1=CCCCC1>N1=CN=C(C2=C1NC=C2)N[C@H]2CNCC[C@H]2O | 3 |
[F:1][C:2]([F:12])([F:11])[C:3]1[CH:10]=[CH:9][CH:8]=[CH:7][C:4]=1[CH:5]=O.F[B-](F)(F)F.[CH:18]1([S+](C2C=CC=CC=2)C2C=CC=CC=2)[CH2:20][CH2:19]1.CC([O-:38])(C)C.[K+]>C1COCC1>[F:1][C:2]([F:12])([F:11])[C:3]1[CH:10]=[CH:9][CH:8]=[CH:7][C:4]=1[CH:5]1[CH2:20][CH2:18][C:19]1=[O:38] | 2 |
FC(C(=O)OCC)(F)F.O(C1=CC=CC=C1)C[C@@H](C)N>>FC(C(=O)N[C@@H](COC1=CC=CC=C1)C)(F)F | 5 |
[Cl:1][C:2]1[C:7](C(F)(F)F)=[CH:6][CH:5]=[CH:4][C:3]=1[C:12]([N:14]1[CH2:23][CH2:22][C:21]2[C:20]([C:24]3[N:28](C4CCCCO4)[N:27]=[CH:26][CH:25]=3)=[N:19][C:18]([CH3:35])=[N:17][C:16]=2[CH2:15]1)=[O:13].CC1N=C(C2N(C3CCCCO3)N=CC=2)C2CCN(C(OC(C)(C)C)=O)CC=2N=1.[Cl:65]C1C(Cl)=CC=CC=1C(O)=O.ClC1C([C:86]([F:89])([F:88])[F:87])=CC=CC=1C(O)=O>>[Cl:1][C:2]1[C:7]([Cl:65])=[CH:6][CH:5]=[CH:4][C:3]=1[C:12]([N:14]1[CH2:23][CH2:22][C:21]2[C:20]([C:24]3[NH:28][N:27]=[CH:26][C:25]=3[C:86]([F:89])([F:88])[F:87])=[N:19][C:18]([CH3:35])=[N:17][C:16]=2[CH2:15]1)=[O:13] | 2 |
C(C=C)I.O1C(OCCC1)C1=CC(=C(C=C1)C=1SC2=NC(=CC=C2N1)CC1=CC=CC=C1)F>>O1C(OCCC1)C1=CC(=C(C=C1)C=1SC2=NC(=CC=C2N1)C(CC=C)C1=CC=CC=C1)F | 5 |
Cl.Cl.ClC1=CC=C(C=C1)[C@H]1N(CCN(C1)CC1=CC=CC=C1)CC=C>>Cl.Cl.ClC1=CC=C(C=C1)[C@@H]1CN(CCN1)CC1=CC=CC=C1 | 5 |
BrC=1C(=NC=C(C1)OC(F)F)C>O1CCOCC1.[Se](=O)=O>BrC=1C(=NC=C(C1)OC(F)F)C=O | 3 |
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([N+:8]([O-:10])=O)=[CH:4][CH:3]=1.[F:11][C:12]1[CH:17]=[CH:16][C:15]([CH2:18]C#N)=[CH:14][CH:13]=1.[OH-].[Na+].O>C(O)C>[Br:1][C:2]1[CH:3]=[CH:4][C:5]2=[N:8][O:10][C:18]([C:15]3[CH:16]=[CH:17][C:12]([F:11])=[CH:13][CH:14]=3)=[C:6]2[CH:7]=1 | 1 |
C(C)(C)(C)OC(C[C@@H](CCCC1CCCCC1)C1=NCN(O1)C(=O)OCC)=O>CCO[H].N>NC(=O)C1=NOC(=N1)[C@@H](CC(=O)OC(C)(C)C)CCCC1=CC=CC=C1 | 3 |
[F:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[NH:8][C:9]1[N:18]=[CH:17][CH:16]=[CH:15][C:10]=1[C:11]([O:13]C)=[O:12].[OH-].[K+]>CO.O>[F:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[NH:8][C:9]1[N:18]=[CH:17][CH:16]=[CH:15][C:10]=1[C:11]([OH:13])=[O:12] | 2 |
[CH:1]1([CH2:4][NH:5][C:6]([C:8]2[N:9]([CH3:28])[CH:10]=[C:11]([C:13]([C:15]3[C:16](C4C=CC(F)=CC=4)=[N:17][O:18][C:19]=3[CH3:20])=[O:14])[CH:12]=2)=[O:7])C[CH2:2]1.C(NC(C1NC=C(C(C2C([C:48]3[CH:53]=[CH:52][CH:51]=[C:50]([F:54])[CH:49]=3)=NOC=2C)=O)C=1)=O)C#C>>[CH2:4]([NH:5][C:6]([C:8]1[N:9]([CH3:28])[CH:10]=[C:11]([C:13]([C:15]2[C:16]([C:48]3[CH:53]=[CH:52][CH:51]=[C:50]([F:54])[CH:49]=3)=[N:17][O:18][C:19]=2[CH3:20])=[O:14])[CH:12]=1)=[O:7])[C:1]#[CH:2] | 1 |
ClC=1C2=C(SC1C(=O)O)C=CC=C2>O.C1CCCO1.B>ClC=1C2=C(SC1CO)C=CC=C2 | 3 |
FC1=CC2=C(CC3=C(C4(C2=O)CC=CC4)C=CC=C3)C=C1>O(O[H])[H].C1CCCO1.[OH-].[Na+]>FC1=CC2=C(CC3=C(C4(C2O)CC(CC4)O)C=CC=C3)C=C1 | 3 |
CC[Mg+].[Br-].N1([C@H](C(=O)N(C)OC)CCC1)C(=O)OC(C)(C)C.C(#C)C1=CC=C(C=C1)I>C1CCCO1>IC1=CC=C(C=C1)C#CC(=O)[C@H]1N(CCC1)C(=O)OC(C)(C)C | 3 |
[CH:1]1[C:10]2[C:5](=[C:6]([NH2:11])[CH:7]=[CH:8][CH:9]=2)[CH:4]=[CH:3][N:2]=1.[N:12]([C:15]1[CH:16]=[C:17]([CH:21]=[CH:22][C:23]=1[O:24][CH3:25])[C:18]([NH2:20])=[O:19])=[C:13]=[S:14].CS(C1C=CC(OC)=C(NC(NC2C=CC=C3C=2C=NN3C)=S)C=1)(=O)=O>>[CH:1]1[C:10]2[C:5](=[C:6]([NH:11][C:13](=[S:14])[NH:12][C:15]3[CH:16]=[C:17]([CH:21]=[CH:22][C:23]=3[O:24][CH3:25])[C:18]([NH2:20])=[O:19])[CH:7]=[CH:8][CH:9]=2)[CH:4]=[CH:3][N:2]=1 | 2 |
ClC1=NC2=CC=NC=C2C(=C1)Cl.CN(CCNC(=O)C1=NC2=C(N1COCC[Si](C)(C)C)C=CC(=C2)B2OC(C(O2)(C)C)(C)C)C>O.O1CCOCC1.C([O-])([O-])=O.[Na+].[Na+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>ClC1=CC(=NC2=CC=NC=C12)C1=CC2=C(N(C(=N2)C(=O)NCCN(C)C)COCC[Si](C)(C)C)C=C1 | 3 |
Cl.N1CC(CC1)O.BrC1=CC2=C(C=N1)C(=NN2C(C)C)I>[Cu]I.N(C)(C)C=O.O.C([O-])([O-])=O.[K+].[K+].N1[C@H](C(=O)O)CCC1>BrC1=CC2=C(C=N1)C(=NN2C(C)C)N2CC(CC2)O | 3 |
[N:1]1[CH:6]=[CH:5][CH:4]=[CH:3][C:2]=1[Si:7]([CH3:10])([CH3:9])[CH3:8].C([Li])(C)(C)C.CCCCC.[CH3:21][Si:22](C[Li])([CH3:29])[C:23]1C=CC=CN=1.Cl[Si](C)(C)C.Cl>C(OCC)C>[CH3:8][Si:7]([CH3:10])([C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][N:1]=1)[CH2:9][Si:22]([CH3:29])([CH3:23])[CH3:21] | 1 |
C(C)(=O)O[C@H]1C2(CC2)[C@H](C=C1)N1N=NC2=C1N=C(N=C2N[C@H]2[C@@H](C2)C2=CC=CC=C2)SCCC>>C(CC)SC=1N=C(C2=C(N1)N(N=N2)[C@H]2C=C[C@H](C21CC1)O)N[C@H]1[C@@H](C1)C1=CC=CC=C1 | 5 |
[CH3:1][C:2]1([CH3:28])[C@@H:24]([OH:25])[CH2:23][CH2:22][C@@:21]2([CH3:26])[C@H:3]1[CH2:4][CH2:5][C:6]1[C:7]3[C@:17]([CH3:27])([CH2:18][CH2:19][C:20]=12)[C@@H:10]([C@H:11]([CH3:16])[CH2:12][CH2:13][CH2:14][OH:15])[CH2:9][CH:8]=3>C1C=CC=CC=1.[Ru](Cl)Cl.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1>[OH:25][C@H:24]1[CH2:23][CH2:22][C@@:21]2([CH3:26])[C@@H:3]([CH2:4][CH2:5][C:6]3[C:7]4[C@:17]([CH3:27])([CH2:18][CH2:19][C:20]=32)[C@@H:10]([C@H:11]([CH3:16])[CH2:12][CH2:13][CH:14]=[O:15])[CH2:9][CH:8]=4)[C:2]1([CH3:1])[CH3:28] | 1 |
BrC=1C=C2N=CC(=NC2=CC1)Cl.COC(N[C@@H](C(C)C)C(=O)N1[C@@H](CCC1)C=1NC=C(N1)C1=CC=C(C=C1)B1OC(C(O1)(C)C)(C)C)=O>O.O1CCOCC1.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(=O)([O-])[O-].[Cs+].[Cs+]>BrC=1C=C2N=CC(=NC2=CC1)C1=CC=C(C=C1)C1=CN=C(N1)[C@H]1N(CCC1)C([C@H](C(C)C)NC(OC)=O)=O | 3 |
BrC1=CC=C2C=CC=NC2=C1>>CC1(OB(OC1(C)C)C1=CC=C2C=CC=NC2=C1)C | 5 |
[NH:1]1[CH:5]=[N:4][CH:3]=[N:2]1.S(Cl)(Cl)=O.[CH2:10]([N:12]1[C:16]2[CH:17]=[CH:18][C:19]([CH:21](O)[C:22]3[CH:27]=[CH:26][C:25]([N+:28]([O-:30])=[O:29])=[CH:24][CH:23]=3)=[CH:20][C:15]=2[S:14][C:13]1=[O:32])[CH3:11]>C(#N)C>[CH2:10]([N:12]1[C:16]2[CH:17]=[CH:18][C:19]([CH:21]([C:22]3[CH:27]=[CH:26][C:25]([N+:28]([O-:30])=[O:29])=[CH:24][CH:23]=3)[N:1]3[CH:5]=[N:4][CH:3]=[N:2]3)=[CH:20][C:15]=2[S:14][C:13]1=[O:32])[CH3:11] | 2 |
C(=O)(OC(C)(C)C)N1CCC(CC1)(COS(=O)(=O)C)C1CCCCC1.N1N=NC=C1.[Na]>N(C)(C)C=O>C(C)(C)(C)OC(=O)N1CCC(CC1)(CN1N=CN=C1)C1CCCCC1 | 3 |
[O:1]1[CH2:6][CH2:5][O:4][C:3]2[CH:7]=[C:8]([OH:11])[CH:9]=[CH:10][C:2]1=2.C([Mg]Cl)(C)C.[C:17]1([CH:23]([C:35]2[CH:40]=[CH:39][CH:38]=[CH:37][CH:36]=2)[N:24]2[C:32]3[C:27](=[N:28][CH:29]=[CH:30][CH:31]=3)[C:26](=[O:33])[C:25]2=[O:34])[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1.[Cl-].[NH4+]>O1CCCC1.ClCCl>[C:35]1([CH:23]([C:17]2[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=2)[N:24]2[C:32]3[C:27](=[N:28][CH:29]=[CH:30][CH:31]=3)[C:26]([OH:33])([C:9]3[C:8]([OH:11])=[CH:7][C:3]4[O:4][CH2:5][CH2:6][O:1][C:2]=4[CH:10]=3)[C:25]2=[O:34])[CH:36]=[CH:37][CH:38]=[CH:39][CH:40]=1 | 2 |
CC1=C(SC=2C1=NC=CC2)C(=O)OCC>>CC1=C(SC=2C1=NC=CC2)C=O | 5 |
ClC=1C(=C(C=CC1)NC1=NC=NC2=CC(=C(C=C12)[N+](=O)[O-])C#CC1CN(CC1)C(=O)OC(C)(C)C)F>Cl.C(C)(=O)OCC>ClC=1C(=C(C=CC1)NC1=NC=NC2=CC(=C(C=C12)[N+](=O)[O-])C#CC1CNCC1)F | 3 |
[F:1][C:2]1[CH:7]=[C:6]([C@@H:8]2[CH2:13][CH2:12][NH:11][CH2:10][C@H:9]2[F:14])[CH:5]=[CH:4][C:3]=1[OH:15].C(N(C(C)C)CC)(C)C.CS(O[C@H:30]1[CH2:34][CH2:33][N:32]([CH2:35][C:36]2[CH:41]=[CH:40][C:39]([Cl:42])=[CH:38][CH:37]=2)[C:31]1=[O:43])(=O)=O.CO.ClCCl>C(#N)C.C(=O)(O)[O-].[Na+]>[Cl:42][C:39]1[CH:38]=[CH:37][C:36]([CH2:35][N:32]2[CH2:33][CH2:34][CH:30]([N:11]3[CH2:12][CH2:13][C@@H:8]([C:6]4[CH:5]=[CH:4][C:3]([OH:15])=[C:2]([F:1])[CH:7]=4)[C@H:9]([F:14])[CH2:10]3)[C:31]2=[O:43])=[CH:41][CH:40]=1 | 1 |
ClC(=O)OC.ClC1=CC=C(C=C1)[C@@H]1N(C(CC2=CC(=C(C=C12)OC(C)C)OC)=O)C1=CC=C(C=C1)C1(CNC1)O>ClCCl.C(C)(C)N(C(C)C)CC.C(O)([O-])=O.[Na+]>COC(=O)N1CC(C1)(O)C1=CC=C(C=C1)N1[C@H](C2=CC(=C(C=C2CC1=O)OC)OC(C)C)C1=CC=C(C=C1)Cl | 3 |
BrBr.[CH:3]1[C:18]2[C:19]3[C:6]([C:7](=[O:21])[O:8][C:9](=[O:20])[C:10]=3[CH:11]=[C:12]3[C:17]=2[CH2:16][O:15][CH2:14][O:13]3)=[CH:5][CH:4]=1.[CH3:22][OH:23]>C(Cl)(Cl)Cl>[CH3:22][O:23][CH:16]1[O:15][CH2:14][O:13][C:12]2[C:17]1=[C:18]1[CH:3]=[CH:4][CH:5]=[C:6]3[C:7](=[O:21])[O:8][C:9](=[O:20])[C:10]([CH:11]=2)=[C:19]13 | 1 |
C(CC=C)OC=1C=2N(C=C(N1)C1=CN=C(O1)CO[Si](C)(C)C(C)(C)C)C=CN2>O.C1CCCO1.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC>C(CC=C)OC=1C=2N(C=C(N1)C1=CN=C(O1)CO)C=CN2 | 3 |
C(C)OCC(=O)Cl.NC=1C=NC2=CC=CC=C2C1NCC1(CCCC1)O>>C(C)OCC=1N(C2=C(C=NC=3C=CC=CC23)N1)CC1(CCCC1)O | 5 |
Cl[C:2]1[N:11]=[C:10]2[C:5]([C:6](=[O:18])[C:7]([C:15]([OH:17])=[O:16])=[CH:8][N:9]2[CH:12]2[CH2:14][CH2:13]2)=[CH:4][C:3]=1[F:19].[CH3:20][C:21]([O:24][C:25](=[O:43])[NH:26][CH:27]([CH2:36][C:37]1[CH:42]=[CH:41][CH:40]=[CH:39][CH:38]=1)[C:28](=[O:35])[NH:29][CH:30]1[CH2:34][CH2:33][NH:32][CH2:31]1)([CH3:23])[CH3:22].C(N(CC)CC)C>C(#N)C>[CH:12]1([N:9]2[C:10]3[C:5](=[CH:4][C:3]([F:19])=[C:2]([N:32]4[CH2:33][CH2:34][CH:30]([NH:29][C:28](=[O:35])[CH:27]([NH:26][C:25]([O:24][C:21]([CH3:22])([CH3:20])[CH3:23])=[O:43])[CH2:36][C:37]5[CH:42]=[CH:41][CH:40]=[CH:39][CH:38]=5)[CH2:31]4)[N:11]=3)[C:6](=[O:18])[C:7]([C:15]([OH:17])=[O:16])=[CH:8]2)[CH2:14][CH2:13]1 | 1 |
[Cl:1][C:2]1[N:7]=[C:6](/[CH:8]=[CH:9]/[N:10](C)[CH3:11])[C:5]2[C:13]([I:35])=[N:14][N:15]([C:16]([C:29]3[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=3)([C:23]3[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=3)[C:17]3[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=3)[C:4]=2[CH:3]=1.C(N)[C:37]1[CH:42]=[CH:41][CH:40]=[CH:39][CH:38]=1.[C:44](O[BH-](OC(=O)C)OC(=O)C)(=[O:46])C.[Na+]>CCO.CC(O)=O.ClCCCl>[Cl:1][C:2]1[N:7]=[C:6]([CH2:8][CH2:9][NH:10][CH2:11][C:40]2[CH:41]=[CH:42][C:37]([O:46][CH3:44])=[CH:38][CH:39]=2)[C:5]2[C:13]([I:35])=[N:14][N:15]([C:16]([C:17]3[CH:18]=[CH:19][CH:20]=[CH:21][CH:22]=3)([C:29]3[CH:30]=[CH:31][CH:32]=[CH:33][CH:34]=3)[C:23]3[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=3)[C:4]=2[CH:3]=1 | 1 |
BrC=1C(=C(C(=CC1OC)OC)C1=CC=CC=C1)OC.BrC1=C(C=CC(=C1I)OC)OC>C1CCCO1.CC(C)C[AlH]CC(C)C.C(C)(=O)OCC.Cl[Cu].ClP(C(C)(C)C)C(C)(C)C>C(C)(C)(C)P(C1=C(C(=CC=C1OC)OC)C1=C(C(=C(C=C1OC)OC)C1=CC=CC=C1)OC)C(C)(C)C | 3 |
[C:1]([C:4]1[CH:11]=[C:10]([O:12][CH3:13])[CH:9]=[CH:8][C:5]=1[CH:6]=O)([OH:3])=[O:2]>CCO>[CH3:13][O:12][C:10]1[CH:11]=[C:4]2[C:5]([CH:6]=[C:4]([C:1]([OH:3])=[O:2])[O:3][C:1]2=[O:2])=[CH:8][CH:9]=1 | 1 |
CCN(C(C)C)C(C)C.Cl[C:11]1[N:16]=[C:15]([Cl:17])[N:14]=[CH:13][N:12]=1.[CH:18]1([S:24]([CH2:27][C:28]2[CH:29]=[C:30]([CH:32]=[CH:33][CH:34]=2)[NH2:31])(=[O:26])=[O:25])[CH2:23][CH2:22][CH2:21][CH2:20][CH2:19]1>C1COCC1.CC(O)C>[Cl:17][C:15]1[N:14]=[CH:13][N:12]=[C:11]([NH:31][C:30]2[CH:32]=[CH:33][CH:34]=[C:28]([CH2:27][S:24]([CH:18]3[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]3)(=[O:26])=[O:25])[CH:29]=2)[N:16]=1 | 2 |
[CH2:1]([O:8][C:9](Cl)=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH3:12][O:13][C:14]([CH:16]1[CH:20]([C@@H:21]([CH3:31])[CH2:22][O:23][Si:24]([C:27]([CH3:30])([CH3:29])[CH3:28])([CH3:26])[CH3:25])[CH2:19][N:18](CC2C=CC=CC=2)[CH2:17]1)=[O:15].O.C(=O)(O)[O-].[Na+]>ClCCl>[CH3:12][O:13][C:14]([CH:16]1[CH:20]([C@@H:21]([CH3:31])[CH2:22][O:23][Si:24]([C:27]([CH3:30])([CH3:29])[CH3:28])([CH3:25])[CH3:26])[CH2:19][N:18]([C:9]([O:8][CH2:1][C:2]2[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=2)=[O:10])[CH2:17]1)=[O:15] | 1 |
Br[CH2:2][CH2:3][CH2:4][CH2:5][NH:6][C:7]([CH:9]1[CH:18]=[CH:17][C:16]2[C:11](=[CH:12][CH:13]=[CH:14][CH:15]=2)[CH2:10]1)=[O:8].[OH:19][C:20]1[CH:21]=[C:22](N2CCNCC2)[CH:23]=[CH:24][CH:25]=1.C([N:34]([CH2:37][CH3:38])[CH2:35][CH3:36])C.CC#[N:41]>>[OH:19][C:20]1[CH:21]=[C:22]([CH:35]2[CH2:36][NH:41][CH2:38][CH2:37][N:34]2[CH2:2][CH2:3][CH2:4][CH2:5][NH:6][C:7]([C:9]2[CH2:18][CH2:17][C:16]3[C:11](=[CH:12][CH:13]=[CH:14][CH:15]=3)[CH:10]=2)=[O:8])[CH:23]=[CH:24][CH:25]=1 | 1 |
[NH2:1][C:2]1[S:3][CH:4]=[CH:5][N:6]=1.[C:7]([O:11][CH2:12][CH3:13])(=[O:10])[C:8]#[CH:9]>ClCCl.CN(C)C=O>[S:3]1[CH:4]=[CH:5][N:6]=[C:2]1[NH:1]/[CH:9]=[CH:8]/[C:7]([O:11][CH2:12][CH3:13])=[O:10] | 1 |
C[O:2][C:3](=[O:15])[C:4]1[CH:9]=[C:8]([O:10][CH3:11])[CH:7]=[C:6]([CH:12]2[CH2:14][CH2:13]2)[CH:5]=1.[OH-].[Na+]>C1COCC1.C(O)C>[CH:12]1([C:6]2[CH:5]=[C:4]([CH:9]=[C:8]([O:10][CH3:11])[CH:7]=2)[C:3]([OH:15])=[O:2])[CH2:13][CH2:14]1 | 1 |
Cl[C:2]1[C:7]([Cl:8])=[CH:6][C:5]([C:9]([F:12])([F:11])[F:10])=[CH:4][N:3]=1.[C:13]1([CH:20]=[CH:19][C:17]([OH:18])=[CH:16][CH:15]=1)[OH:14]>>[Cl:8][C:7]1[C:2]([O:14][C:13]2[CH:20]=[CH:19][C:17]([OH:18])=[CH:16][CH:15]=2)=[N:3][CH:4]=[C:5]([C:9]([F:12])([F:11])[F:10])[CH:6]=1 | 2 |
C(C=C)Br.BrC1=CC=C(C=C1)C1OCC(CO1)(C)C>>C(C=C)C1=CC=C(C=C1)C1OCC(CO1)(C)C | 5 |
[CH3:1][N:2]1[C:6]2[CH:7]=[CH:8][CH:9]=[CH:10][C:5]=2[O:4][C:3]1=[O:11].[S:12]([Cl:16])(=O)(=[O:14])[OH:13]>[Cl-].[Na+].O>[CH3:1][N:2]1[C:6]2[CH:7]=[CH:8][C:9]([S:12]([Cl:16])(=[O:14])=[O:13])=[CH:10][C:5]=2[O:4][C:3]1=[O:11] | 2 |
O(C1=CC=CC=C1)C1=CC=C(C=C1)CC(=O)O.N1(C=NC=C1)C1=NNC2=CC=C(C=C12)N>>C(C1=CC=CC=C1)OC1=CC=C(C=C1)CC(=O)NC=1C=C2C(=NNC2=CC1)N1C=NC=C1 | 5 |
[Br:1][C:2]1[CH:27]=[CH:26][C:5]([O:6][C:7]2[CH:12]=[CH:11][CH:10]=[CH:9][C:8]=2[NH:13][S:14]([C:17]2[CH:25]=[CH:24][C:20]([C:21](O)=[O:22])=[CH:19][CH:18]=2)(=[O:16])=[O:15])=[CH:4][CH:3]=1.[N:28]1[CH:33]=[CH:32][CH:31]=[CH:30][C:29]=1[CH2:34][N:35]1[CH2:40][CH2:39][N:38]([CH2:41][CH2:42][NH2:43])[CH2:37][CH2:36]1>>[Br:1][C:2]1[CH:3]=[CH:4][C:5]([O:6][C:7]2[CH:12]=[CH:11][CH:10]=[CH:9][C:8]=2[NH:13][S:14]([C:17]2[CH:25]=[CH:24][C:20]([C:21]([NH:43][CH2:42][CH2:41][N:38]3[CH2:37][CH2:36][N:35]([CH2:34][C:29]4[CH:30]=[CH:31][CH:32]=[CH:33][N:28]=4)[CH2:40][CH2:39]3)=[O:22])=[CH:19][CH:18]=2)(=[O:16])=[O:15])=[CH:26][CH:27]=1 | 2 |
ClC1=CC=CC(=N1)[C@@H]1C(C12CCN(CC2)C(=O)OC(C)(C)C)(F)F>Cl.O1CCOCC1>Cl.FC1(C(C12CCNCC2)C2=NC(=CC=C2)C2=CC=C(C=C2)C(F)(F)F)F | 3 |
C(C)(C)(C)OC(=O)NCC=1C(=NC(=C(C(=O)OC)C1C1=CC=C(C=C1)C)CC(C)C)CC(C)C>C1(=CC=CC=C1)C.CC(C)C[AlH]CC(C)C>OCC=1C(=C(C(=NC1CC(C)C)CC(C)C)CNC(OC(C)(C)C)=O)C1=CC=C(C=C1)C | 3 |
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