smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
FC1=CC=C(C=O)C=C1>C1CCCO1.C(CCC)[Li].C(C)(C)NC(C)C.N1=C(C=C(C=C1)C)C>FC1=CC=C(C=C1)C(CC1=CC(=NC=C1)C)O | 3 |
NC(C(=O)OCC)=NO.O1N=C(C=C1)C(=O)O>>O1N=C(C=C1)C1=NC(=NO1)C(=O)OCC | 5 |
BrCC=1C=C(C#N)C=CC1.BrC1=CC=C(C(C(=O)O)=C1)O>C([O-])([O-])=O.[K+].[K+].CC(=O)C>BrC=1C=CC(=C(C(=O)OCC2=CC(=CC=C2)C#N)C1)OCC1=CC(=CC=C1)C#N | 3 |
[CH3:1][C:2]1[CH:10]=[CH:9][C:8]2[C:7]3=[CH:11][S:12][C:13]([N:14]4C(=O)C5C(=CC=CC=5)C4=O)=[C:6]3[C:5](=[O:25])[C:4]=2[CH:3]=1.O.NN>C(O)C>[NH2:14][C:13]1[S:12][CH:11]=[C:7]2[C:8]3[CH:9]=[CH:10][C:2]([CH3:1])=[CH:3][C:4]=3[C:5](=[O:25])[C:6]=12 | 1 |
CS(=O)(=O)Cl.C(C1=CC=CC=C1)OCC(CCCO[Si](C(C)C)(C(C)C)C(C)C)O>>CS(=O)(=O)OC(COCC1=CC=CC=C1)CCCO[Si](C(C)C)(C(C)C)C(C)C | 5 |
Cl[C:2]1[CH:3]=[CH:4][C:5]2[N:6]([C:8]([C@H:11]([C:13]3[C:14]([F:24])=[C:15]4[C:20](=[CH:21][C:22]=3[F:23])[N:19]=[CH:18][CH:17]=[CH:16]4)[CH3:12])=[CH:9][N:10]=2)[N:7]=1.[F-].[K+].[NH:27]1[CH2:32][CH2:31][NH:30][CH2:29][CH2:28]1>CN1C(=O)CCC1.CCOC(C)=O>[F:24][C:14]1[C:13]([C@@H:11]([C:8]2[N:6]3[N:7]=[C:2]([N:27]4[CH2:32][CH2:31][NH:30][CH2:29][CH2:28]4)[CH:3]=[CH:4][C:5]3=[N:10][CH:9]=2)[CH3:12])=[C:22]([F:23])[CH:21]=[C:20]2[C:15]=1[CH:16]=[CH:17][CH:18]=[N:19]2 | 1 |
[CH2:1]([O:3][C:4]([N:6]1[CH2:11][CH2:10][CH:9]([C:12]2[C:20]3[C:15](=[CH:16][CH:17]=[C:18]([O:21][CH3:22])[CH:19]=3)[NH:14][CH:13]=2)[CH2:8][CH2:7]1)=[O:5])[CH3:2].Br[CH2:24][C:25]1[O:26][CH:27]=[CH:28][CH:29]=1>C(OCC)C>[CH2:1]([O:3][C:4]([N:6]1[CH2:11][CH2:10][CH:9]([C:12]2[C:20]3[C:15](=[CH:16][CH:17]=[C:18]([O:21][CH3:22])[CH:19]=3)[N:14]([CH2:24][C:25]3[O:26][CH:27]=[CH:28][CH:29]=3)[CH:13]=2)[CH2:8][CH2:7]1)=[O:5])[CH3:2] | 1 |
O=C1NCC=2N(C3=C1SC=C3)C=NC2C(=O)OCC>C1(=CC=CC=C1)C.COC=1C=CC(=CC1)P2(=S)SP(=S)(S2)C=3C=CC(=CC3)OC>S=C1NCC=2N(C3=C1SC=C3)C=NC2C(=O)OCC | 3 |
C(CC=CCCCCC)=O>O.Cl.CC(C)(C)O.Cl(=O)[O-].[Na+].CC(C)=CC.P(=O)(O)(O)[O-].[Na+]>C(C\C=C/CCCCC)(=O)O | 3 |
N1N=CC=C1.C(C=C)(=O)OC(C)(C)C>CC#N.C1CCC2=NCCCN2CC1>C(C)(C)(C)OC(CCN1N=CC=C1)=O | 3 |
[NH2:1][C:2]1[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][C:10]=2[O:12][CH2:13][C:14]([NH2:17])([CH3:16])[CH3:15])[N:5]=[C:4]([CH3:18])[C:3]=1[C:19]([O:21][CH2:22][CH3:23])=[O:20].[CH3:24][CH:25]([CH3:30])[CH2:26][C:27](O)=[O:28]>>[NH2:1][C:2]1[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][C:10]=2[O:12][CH2:13][C:14]([CH3:16])([NH:17][C:27](=[O:28])[CH2:26][CH:25]([CH3:30])[CH3:24])[CH3:15])[N:5]=[C:4]([CH3:18])[C:3]=1[C:19]([O:21][CH2:22][CH3:23])=[O:20] | 1 |
[C:1]([O:5][C:6]([NH:8][C:9]1[CH:14]=[CH:13][C:12]([NH2:15])=[CH:11][CH:10]=1)=[O:7])([CH3:4])([CH3:3])[CH3:2].C(N(CC)CC)C.[Cl-].ClC1N(C)CC[NH+]1C.[CH3:32][O:33][C:34]1[C:35](=[O:58])[C:36]([CH3:57])=[C:37]([CH2:43][C:44]2[CH:45]=[CH:46][C:47]([O:53][C:54](=[O:56])[CH3:55])=[C:48]([CH:52]=2)[C:49](O)=[O:50])[C:38](=[O:42])[C:39]=1[O:40][CH3:41]>C(Cl)Cl>[CH3:32][O:33][C:34]1[C:35](=[O:58])[C:36]([CH3:57])=[C:37]([CH2:43][C:44]2[CH:45]=[CH:46][C:47]([O:53][C:54](=[O:56])[CH3:55])=[C:48]([CH:52]=2)[C:49]([NH:15][C:12]2[CH:11]=[CH:10][C:9]([NH:8][C:6]([O:5][C:1]([CH3:4])([CH3:2])[CH3:3])=[O:7])=[CH:14][CH:13]=2)=[O:50])[C:38](=[O:42])[C:39]=1[O:40][CH3:41] | 1 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.N1C(=NC2=C1C=CC=C2)C=2C(=NC=C(N2)Br)N>C1(=CC=NC=C1)N(C)C.ClCCl.[H-].[Na+].C1(=CC=C(C=C1)S(=O)(=O)Cl)C>C(C)(C)(C)OC(=O)N(C(OC(C)(C)C)=O)C1=NC=C(N=C1C1=NC2=C(N1S(=O)(=O)C1=CC=C(C)C=C1)C=CC=C2)Br | 3 |
[OH:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]2[CH2:13][CH2:12][C:11](=[O:14])[CH2:10][CH2:9]2)=[CH:4][CH:3]=1.C([O-])([O-])=O.[K+].[K+].I[CH2:22][CH3:23]>CC(C)=O>[CH2:22]([O:1][C:2]1[CH:3]=[CH:4][C:5]([CH:8]2[CH2:9][CH2:10][C:11](=[O:14])[CH2:12][CH2:13]2)=[CH:6][CH:7]=1)[CH3:23] | 1 |
[CH3:1][O:2][C:3]1[CH:34]=[CH:33][C:6]([CH2:7][NH:8][C:9]2[N:14]=[C:13]([CH2:15][CH2:16][CH2:17][CH2:18][C:19](=[O:32])[CH:20]=[CH:21][C:22]3[CH:31]=[N:30][C:29]4[C:24](=[CH:25][CH:26]=[CH:27][CH:28]=4)[N:23]=3)[CH:12]=[CH:11][CH:10]=2)=[CH:5][CH:4]=1.[BH4-].[Na+]>CO>[CH3:1][O:2][C:3]1[CH:4]=[CH:5][C:6]([CH2:7][NH:8][C:9]2[N:14]=[C:13]([CH2:15][CH2:16][CH2:17][CH2:18][CH:19]([OH:32])[CH:20]=[CH:21][C:22]3[CH:31]=[N:30][C:29]4[C:24](=[CH:25][CH:26]=[CH:27][CH:28]=4)[N:23]=3)[CH:12]=[CH:11][CH:10]=2)=[CH:33][CH:34]=1 | 1 |
COC1=C(C=C2C=C(C=NC2=C1)B(O)O)C=1N=NC(=CC1)N(C1CC(NC(C1)(C)C)(C)C)C>CO[H].c1cnc[nH]1.N.CN(CCN(C)C)C.O.[N+](=O)([O-])[O-].[Cu+2].O.O.O.O.[N+](=O)([O-])[O-].[Cu+2].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]>N1(C=NC=C1)C=1C=NC2=CC(=C(C=C2C1)C1=CC=C(N=N1)N(C1CC(NC(C1)(C)C)(C)C)C)OC | 3 |
CNC1=CC=CC=C1.BrCC1=CC=C(C=C1)COC1=CC=C(C=C1)CCC(=O)OC>>CN(C1=CC=CC=C1)CC1=CC=C(C=C1)COC1=CC=C(C=C1)CCC(=O)OC | 5 |
[CH3:1][C:2]1[N:3]=[C:4](Cl)[C:5]2[CH:10]=[C:9]([CH3:11])[S:8][C:6]=2[N:7]=1.[NH2:13][CH2:14][CH:15]([C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1)[OH:16]>>[CH3:1][C:2]1[N:3]=[C:4]([NH:13][CH2:14][CH:15]([C:17]2[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=2)[OH:16])[C:5]2[CH:10]=[C:9]([CH3:11])[S:8][C:6]=2[N:7]=1 | 2 |
OC(C)C1=NC=CC=C1CN1CCN(CC1)C(=O)OC(C)(C)C>ClCCl.C(=O)(C(F)(F)F)O.C(O)([O-])=O.[Na+]>N1(CCNCC1)CC=1C(=NC=CC1)C(C)O | 3 |
C(C)(C)(C)C=1C=CC=2CC3=CC=C(C=C3C2C1)C(C)(C)C.CC(CCC)(C)C=1C=CC(C1)=C(C)C>>CC(CCC)(C)C1=CC(C=C1)C(C)(C)C1=CC(=CC=2C3=CC(=CC=C3CC12)C(C)(C)C)C(C)(C)C | 5 |
[C:1]([O:5][C:6]([N:8]1[CH2:12][CH2:11][C@:10]([F:16])([C:13]([OH:15])=O)[CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[CH3:17][O:18][C@@H:19]([C@@H:37]1[CH2:41][CH2:40][CH2:39][N:38]1[C:42](=[O:61])[CH2:43][C@@H:44]([O:59][CH3:60])[C@@H:45]([N:50]([CH3:58])[C:51](=[O:57])[C@H:52]([CH:54]([CH3:56])[CH3:55])[NH2:53])[C@@H:46]([CH3:49])[CH2:47][CH3:48])[C@@H:20]([CH3:36])[C:21]([NH:23][C@H:24]([C:32]([O:34][CH3:35])=[O:33])[CH2:25][C:26]1[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=1)=[O:22].C(N(C(C)C)CC)(C)C.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F>ClCCl.CN(C)C=O.C(OCC)(=O)C>[C:1]([O:5][C:6]([N:8]1[CH2:12][CH2:11][C@@:10]([C:13]([NH:53][C@H:52]([C:51]([N:50]([CH3:58])[C@@H:45]([C@@H:46]([CH3:49])[CH2:47][CH3:48])[C@H:44]([O:59][CH3:60])[CH2:43][C:42]([N:38]2[CH2:39][CH2:40][CH2:41][C@H:37]2[C@H:19]([O:18][CH3:17])[C@@H:20]([CH3:36])[C:21]([NH:23][C@H:24]([C:32]([O:34][CH3:35])=[O:33])[CH2:25][C:26]2[CH:27]=[CH:28][CH:29]=[CH:30][CH:31]=2)=[O:22])=[O:61])=[O:57])[CH:54]([CH3:55])[CH3:56])=[O:15])([F:16])[CH2:9]1)=[O:7])([CH3:2])([CH3:3])[CH3:4] | 1 |
[CH3:1][C:2]1[N:6]([C:7]2[CH:12]=[CH:11][CH:10]=[C:9]([C:13]([F:16])([F:15])[F:14])[CH:8]=2)[C:5](=[O:17])[NH:4][C:3]=1[C:18]1[N:22]([C:23]2[CH:30]=[CH:29][C:26]([C:27]#[N:28])=[CH:25][CH:24]=2)[N:21]=[CH:20][N:19]=1.[CH:31]1([N:36]=[C:37]=[O:38])[CH2:35][CH2:34][CH2:33][CH2:32]1.CCN(C(C)C)C(C)C>C(Cl)Cl>[CH:31]1([NH:36][C:37]([N:4]2[C:3]([C:18]3[N:22]([C:23]4[CH:24]=[CH:25][C:26]([C:27]#[N:28])=[CH:29][CH:30]=4)[N:21]=[CH:20][N:19]=3)=[C:2]([CH3:1])[N:6]([C:7]3[CH:12]=[CH:11][CH:10]=[C:9]([C:13]([F:15])([F:16])[F:14])[CH:8]=3)[C:5]2=[O:17])=[O:38])[CH2:35][CH2:34][CH2:33][CH2:32]1 | 2 |
CC1(OB(OC1(C)C)C1=CN=C(O1)[Si](C(C)C)(C(C)C)C(C)C)C.ClC1=CC(=CC(=N1)NC(=O)C1CC1)C(F)(F)F>>O1C=NC=C1C1=CC(=CC(=N1)NC(=O)C1CC1)C(F)(F)F | 5 |
[C:1]1([CH:7]([C:11]2[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=2)[CH2:8][CH2:9][OH:10])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.[CH2:36]([O:38][C:39](=[O:52])[CH:40]([O:49][CH2:50][CH3:51])[CH2:41][C:42]1[CH:47]=[CH:46][C:45](O)=[CH:44][CH:43]=1)[CH3:37].CCOC(/N=N/C(OCC)=O)=O>>[CH2:36]([O:38][C:39](=[O:52])[CH:40]([O:49][CH2:50][CH3:51])[CH2:41][C:42]1[CH:47]=[CH:46][C:45]([O:10][CH2:9][CH2:8][CH:7]([C:1]2[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=2)[C:11]2[CH:12]=[CH:13][CH:14]=[CH:15][CH:16]=2)=[CH:44][CH:43]=1)[CH3:37] | 1 |
COC([N:5]1[C:13]2[C:8](=[C:9]([NH:14][C:15]([NH:17][CH:18]3[C:27]4[C:22](=[CH:23][CH:24]=[C:25]([F:28])[CH:26]=4)[O:21][CH2:20][CH2:19]3)=[O:16])[CH:10]=[CH:11][CH:12]=2)[CH:7]=[N:6]1)=O.COC(N1C2C(=C(NC(NC3C4C(=CC(C(C)(C)C)=CC=4)OCC3)=O)C=CC=2)C=N1)=O>>[F:28][C:25]1[CH:26]=[C:27]2[C:22](=[CH:23][CH:24]=1)[O:21][CH2:20][CH2:19][CH:18]2[NH:17][C:15]([NH:14][C:9]1[CH:10]=[CH:11][CH:12]=[C:13]2[C:8]=1[CH:7]=[N:6][NH:5]2)=[O:16] | 1 |
[Br:1][C:2]1[NH:3][C:4]2[CH:10]=[C:9]([Cl:11])[C:8]([Cl:12])=[CH:7][C:5]=2[N:6]=1.ClC1C(Cl)=CC2=NC(=O)N=C2C=1.C(O[C@@H:29]1[O:41][C@H:40]([CH2:42][O:43][C:44](=[O:46])[CH3:45])[C@@H:35]([O:36][C:37](=[O:39])[CH3:38])[C@H:30]1[O:31][C:32](=[O:34])[CH3:33])(=O)C.[Si](OS(C(F)(F)F)(=O)=O)(C)(C)C>CCOC(C)=O>[Br:1][C:2]1[N:3]([C@@H:29]2[O:41][C@H:40]([CH2:42][O:43][C:44](=[O:46])[CH3:45])[C@@H:35]([O:36][C:37](=[O:39])[CH3:38])[C@H:30]2[O:31][C:32](=[O:34])[CH3:33])[C:4]2[CH:10]=[C:9]([Cl:11])[C:8]([Cl:12])=[CH:7][C:5]=2[N:6]=1 | 1 |
CN1CCN(CC1)C1=CC(=C(C=N1)N)C1=C(C=CC=C1)C>CC#N.O.C1CCCO1.C(C)(=O)OCC.C(C)(C)N(C(C)C)CC.[H-].[Al+3].[Li+].[H-].[H-].[H-].ClC(=O)OCC>CNC=1C=NC(=CC1C1=C(C=CC=C1)C)N1CCN(CC1)C | 3 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH2:11][OH:12])[CH:6]=[CH:7][C:8]=1[O:9][CH3:10].[Cl:13][C:14]1[CH:15]=[C:16]([CH:21]=[CH:22][C:23]=1O)[C:17]([O:19][CH3:20])=[O:18].C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.CCOC(/N=N/C(OCC)=O)=O>C1COCC1>[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH:6]=[CH:7][C:8]=1[O:9][CH3:10])[CH2:11][O:12][C:23]1[CH:22]=[CH:21][C:16]([C:17]([O:19][CH3:20])=[O:18])=[CH:15][C:14]=1[Cl:13] | 1 |
C(#C)[Si](C)(C)C.BrC1=CC(=C(CO)C=C1)F>[Cu]I.O.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.C(C)(C)N(C(C)C)CC>FC1=C(C=CC(=C1)C#C[Si](C)(C)C)CO | 3 |
C(C)OC(=O)C1=NC(=NO1)C1=CC=NC=C1.C(CCCC)C1CCC(CC1)N>C1(=CC=CC=C1)C.ClCCl.CCCCCC.CCCC(C)C.CCC(C)CC.C(C)[Al](CC)CC>C(CCCC)C1CCC(CC1)NC(=O)C1=NC(=NO1)C1=CC=NC=C1 | 3 |
C(C)(C)(C)OC(=O)NCCCN(C(O)=O)CCCCN(CCCNC(C(F)(F)F)=O)C(=O)OC(C)(C)C>ClCCl.C(=O)(C(F)(F)F)O>NCCCNCCCCNCCCNC(C(F)(F)F)=O | 3 |
Cl.C(C)(C)(C)OC(CN)=O.C(C)C(CC)N1C(=NC2=C1C=CC(=C2)C(=O)N[C@H](C(=O)O)CC(C)C)CC=2SC=CC2>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.CCN=C=NCCCN(C)C.ON1N=NC2=C1N=CC=C2>C(C)(C)(C)OC(CNC([C@H](CC(C)C)NC(=O)C1=CC2=C(N(C(=N2)CC=2SC=CC2)C(CC)CC)C=C1)=O)=O | 3 |
COC=1C=C2CCCC(C2=CC1)=O.[I-].C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1>[HH].CS(=O)C.[H-].[Na+]>COC=1C=C2CCCC(C2=CC1)=C | 3 |
OC=1C=CC(=NC1C)CCC(=O)OC(C)(C)C>>FC(S(=O)(=O)OC=1C=CC(=NC1C)CCC(=O)OC(C)(C)C)(F)F | 5 |
[CH:1]1([N:4]2[CH2:13][C:12]([CH3:15])([CH3:14])[C:11]3[C:6](=[CH:7][CH:8]=[C:9]([CH2:16][OH:17])[CH:10]=3)[CH2:5]2)[CH2:3][CH2:2]1.C[N+]1([O-])CCOCC1.C(OCC)(=O)C>ClCCl.C(#N)C.CCCCCC.[Ru]([O-])(=O)(=O)=O.C([N+](CCC)(CCC)CCC)CC>[CH:1]1([N:4]2[CH2:13][C:12]([CH3:14])([CH3:15])[C:11]3[C:6](=[CH:7][CH:8]=[C:9]([CH:16]=[O:17])[CH:10]=3)[CH2:5]2)[CH2:3][CH2:2]1 | 1 |
[NH2:1][C:2]1[C:3]([O:17][CH2:18][CH3:19])=[C:4]([C:12]([O:14][CH2:15][CH3:16])=[O:13])[C:5]([CH3:11])=[N:6][C:7]=1[NH:8][CH2:9][CH3:10].[C:20](O)(=O)[CH3:21]>>[CH3:10][C:9]1[N:8]([CH2:20][CH3:21])[C:7]2=[N:6][C:5]([CH3:11])=[C:4]([C:12]([O:14][CH2:15][CH3:16])=[O:13])[C:3]([O:17][CH2:18][CH3:19])=[C:2]2[N:1]=1 | 1 |
ClC1=C(C=O)C(=CC=C1)F.ClC=1C=C(C=CC1)[C@H](CN(C(OC(C)(C)C)=O)[C@@H](CC1=CC=C(C=C1)S[Si](C(C)C)(C(C)C)C(C)C)C)O>>ClC=1C(=C(C=CC1)SC1=CC=C(C=C1)C[C@@H](C)N(C(OC(C)(C)C)=O)C[C@H](O)C1=CC(=CC=C1)Cl)C=O | 5 |
I[C:2]1[C:10]2[C:9]([OH:11])=[C:8]([C:12]3[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=3)[N:7]=[N:6][C:5]=2[N:4]([CH3:18])[N:3]=1.[NH:19]1[CH2:26][CH2:25][CH2:24][C@H:20]1C(O)=O.C([O-])([O-])=O.[K+].[K+]>CN(C=O)C.[Cu](I)I>[CH3:18][N:4]1[C:5]2[N:6]=[N:7][C:8]([C:12]3[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=3)=[C:9]([OH:11])[C:10]=2[C:2]([N:19]2[CH2:26][CH2:25][CH2:24][CH2:20]2)=[N:3]1 | 1 |
BrC=1C(=NC=C(C1)Br)C.BrCC=1C=C2C=NN(C2=CC1)C>C([O-])([O-])=O.[K+].[K+].O1CCOCC1.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>BrC=1C=C(C(=NC1)C)C=1C=C2C=NN(C2=CC1)C.BrC=1C=C(C=NC1C)C=1C=C2C=NN(C2=CC1)C | 3 |
[N+:1]([C:4]1[CH:9]=[CH:8][C:7]([N:10]=[N:11][C:12]2[CH:17]=[CH:16][C:15]([C:18]3[CH:23]=[CH:22][C:21]([OH:24])=[CH:20][CH:19]=3)=[CH:14][CH:13]=2)=[CH:6][CH:5]=1)([O-:3])=[O:2]>C(O)C>[N+:1]([C:4]1[CH:9]=[CH:8][C:7]([N:10]=[N:11][C:12]2[CH:17]=[CH:16][C:15]([C:18]3[CH:23]=[CH:22][C:21]([O:24][CH2:16][CH2:17][CH2:12][CH2:13][CH2:14][CH2:15][CH3:18])=[CH:20][CH:19]=3)=[CH:14][CH:13]=2)=[CH:6][CH:5]=1)([O-:3])=[O:2] | 1 |
ClC=1C=C(C=C(C1C(C)O)Cl)C(F)(F)F>C(C)OCC.ClCCl.C=1C=C[NH+]=CC1.[O-][Cr](=O)(=O)Cl>C(C)(=O)C1=C(C=C(C=C1Cl)C(F)(F)F)Cl | 3 |
N1(CCOCC1)CCCP(OCC)(=O)C1=CC=CC=C1>Cl>N1(CCOCC1)CCCP(O)(=O)C1=CC=CC=C1 | 3 |
[Cl:1][C:2]1[CH:24]=[CH:23][C:5]([C:6]([N:8]([CH2:17][CH2:18][CH2:19][C:20](O)=[O:21])[C:9]2[C:14]([CH3:15])=[CH:13][CH:12]=[CH:11][C:10]=2[CH3:16])=[O:7])=[CH:4][CH:3]=1.[NH2:25][C@H:26]([C:34]([O:36][CH2:37][CH3:38])=[O:35])[CH2:27][C:28]1[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=1>>[Cl:1][C:2]1[CH:24]=[CH:23][C:5]([C:6]([N:8]([CH2:17][CH2:18][CH2:19][C:20]([NH:25][C@H:26]([C:34]([O:36][CH2:37][CH3:38])=[O:35])[CH2:27][C:28]2[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=2)=[O:21])[C:9]2[C:10]([CH3:16])=[CH:11][CH:12]=[CH:13][C:14]=2[CH3:15])=[O:7])=[CH:4][CH:3]=1 | 1 |
BrC1=CC(=C(C=C1)NC=1N(C(C=C2CCN(C(C12)=O)CC1=CC=C(C=C1)OC)=O)C)F>C(=O)(C(F)(F)F)O>FC(C(=O)O)(F)F.BrC1=CC(=C(C=C1)NC=1N(C(C=C2CCNC(C12)=O)=O)C)F | 3 |
[O:1]([CH2:9][CH2:10][CH2:11][OH:12])[Si:2]([C:5]([CH3:8])([CH3:7])[CH3:6])([CH3:4])[CH3:3].C(N(C(C)C)CC)(C)C.[N+:22]([C:25]1[CH:30]=[CH:29][C:28]([S:31](Cl)(=[O:33])=[O:32])=[CH:27][CH:26]=1)([O-:24])=[O:23].C([O-])(O)=O.[Na+]>C(Cl)Cl>[CH3:8][C:5]([Si:2]([O:1][CH2:9][CH2:10][CH2:11][O:12][S:31]([C:28]1[CH:27]=[CH:26][C:25]([N+:22]([O-:24])=[O:23])=[CH:30][CH:29]=1)(=[O:32])=[O:33])([CH3:4])[CH3:3])([CH3:6])[CH3:7] | 1 |
Cl[C:2]1[C:3]([N:7]2[CH2:12][CH:11]([CH3:13])[NH:10][CH:9]([CH3:14])[CH2:8]2)=[N:4][S:5][N:6]=1.[N:15]1[CH:20]=[CH:19][CH:18]=[CH:17][C:16]=1CO.C([CH:27](CCC)[O-:28])(C)(C)C.[K+].C(O)(C)(C)C>O>[CH3:14][CH:9]1[NH:10][CH:11]([CH3:13])[CH2:12][N:7]([C:3]2[C:2]([O:28][CH2:27][C:18]3[CH:17]=[CH:16][N:15]=[CH:20][CH:19]=3)=[N:6][S:5][N:4]=2)[CH2:8]1 | 1 |
NC(C(CCC(=O)OC)N1C(C2=CC=CC(=C2C1)OCC1=NOC(=C1)CN1CCOCC1)=O)=O>CC#N.CC(C)(C)[O-].[K+].C1CCCO1.Cl.C(O)([O-])=O.[Na+]>O1CCN(CC1)CC1=CC(=NO1)COC1=C2CN(C(C2=CC=C1)=O)C1C(NC(CC1)=O)=O | 3 |
C1(CC1)N1C=NC(=C1)NC(OC(C)(C)C)=O>CO[H].Cl.O1CCOCC1>Cl.C1(CC1)N1C=NC(=C1)N | 3 |
ONC(CC1CCC(CC1)C1=CC=C(C=C1)C=1N=NC(=CC1)NC=1C=NC(=CC1)C(F)(F)F)=N>>C(C(C)C)OC(N\C(\CC1CCC(CC1)C1=CC=C(C=C1)C=1N=NC(=CC1)NC=1C=NC(=CC1)C(F)(F)F)=N/O)=O | 5 |
Br[C:2]1[N:3]=[C:4]([C:10]2[C:19]3[C:14](=[CH:15][CH:16]=[CH:17][CH:18]=3)[CH:13]=[CH:12][CH:11]=2)[N:5]([CH2:8][CH3:9])[C:6]=1Br.[Li]CCCC.CCCCCC.Cl[Si](C)(C)C.[C:36](=O)([O:40]CC)[O:37][CH2:38][CH3:39].[F-].C([N+](CCCC)(CCCC)CCCC)CCC>C1COCC1.O>[CH2:38]([O:37][C:36]([C:2]1[N:3]=[C:4]([C:10]2[C:19]3[C:14](=[CH:15][CH:16]=[CH:17][CH:18]=3)[CH:13]=[CH:12][CH:11]=2)[N:5]([CH2:8][CH3:9])[CH:6]=1)=[O:40])[CH3:39] | 1 |
[Br:1][C:2]1[C:3]([NH:9][CH:10]=[N:11]O)=[N:4][C:5]([Br:8])=[CH:6][N:7]=1.C([O-])(O)=O.[Na+]>O>[Br:8][C:5]1[N:4]2[N:11]=[CH:10][N:9]=[C:3]2[C:2]([Br:1])=[N:7][CH:6]=1 | 1 |
Cl[C:2]1[CH:9]=[CH:8][C:5]([C:6]#[N:7])=[CH:4][CH:3]=1.[F:10][C:11]([F:17])([CH:14]([F:16])[F:15])[CH2:12][OH:13].[H-].[Na+]>>[F:10][C:11]([F:17])([CH:14]([F:16])[F:15])[CH2:12][O:13][C:2]1[CH:9]=[CH:8][C:5]([C:6]#[N:7])=[CH:4][CH:3]=1 | 1 |
[Cl:1][C:2]1[CH:3]=[C:4]([C:12]2[S:16][C:15]([C:17]3[C:18]([CH2:25][CH3:26])=[C:19]([CH:22]=[CH:23][CH:24]=3)[CH:20]=O)=[N:14][N:13]=2)[CH:5]=[CH:6][C:7]=1[O:8][CH:9]([CH3:11])[CH3:10].[NH:27]1[CH2:32][CH2:31][CH:30]([C:33]([O:35][CH2:36][CH3:37])=[O:34])[CH2:29][CH2:28]1.C([O-])(=O)C.[Na+].CC(O)=O>CO>[Cl:1][C:2]1[CH:3]=[C:4]([C:12]2[S:16][C:15]([C:17]3[C:18]([CH2:25][CH3:26])=[C:19]([CH2:20][N:27]4[CH2:32][CH2:31][CH:30]([C:33]([O:35][CH2:36][CH3:37])=[O:34])[CH2:29][CH2:28]4)[CH:22]=[CH:23][CH:24]=3)=[N:14][N:13]=2)[CH:5]=[CH:6][C:7]=1[O:8][CH:9]([CH3:11])[CH3:10] | 1 |
Cl[C:2]1[O:11][C:5]2=[C:6]([NH2:10])[N:7]=[CH:8][CH:9]=[C:4]2[CH:3]=1.[CH:12]1[C:21]2[CH:20]=[CH:19][CH:18]=[C:17](B(O)O)[C:16]=2[CH:15]=[CH:14][N:13]=1.C([O-])([O-])=O.[K+].[K+]>O1CCOCC1.O>[CH:12]1[C:21]2[C:16](=[C:17]([C:2]3[O:11][C:5]4=[C:6]([NH2:10])[N:7]=[CH:8][CH:9]=[C:4]4[CH:3]=3)[CH:18]=[CH:19][CH:20]=2)[CH:15]=[CH:14][N:13]=1 | 1 |
[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][CH:11]([O:14][C:15]2[CH:20]=[CH:19][C:18]([NH:21][C:22]([O:24][C:25]([CH3:28])([CH3:27])[CH3:26])=[O:23])=[CH:17][CH:16]=2)[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[OH-].[K+].[CH3:31][C:32]([CH3:36])=[CH:33][CH2:34]Br.O>CC(C)=O>[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][CH:11]([O:14][C:15]2[CH:16]=[CH:17][C:18]([N:21]([C:22]([O:24][C:25]([CH3:28])([CH3:27])[CH3:26])=[O:23])[CH2:34][CH:33]=[C:32]([CH3:36])[CH3:31])=[CH:19][CH:20]=2)[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2] | 1 |
NC=1SC=CN1.ClC=1C=C(C=CC1N1N=NN=C1C)C(C(=O)O)CC1CCCC1>>ClC=1C=C(C=CC1N1N=NN=C1C)C(C(=O)NC=1SC=CN1)CC1CCCC1 | 5 |
[N+](=O)([O-])C1=CC=C(CN2C=CC3=CC=CC=C23)C=C1>C1CCCO1.C(C)OCC.C(C(=O)Cl)(=O)Cl>N1=CC=C(C=C1)NC(C(=O)C1=CN(C2=CC=CC=C12)CC1=CC=C(C=C1)[N+](=O)[O-])=O | 3 |
CN(C(=O)Cl)C.OC1=CC=CC2=C1C(/C(/O2)=C/C2=CN(C1=NC=CC(=C12)N1CC2CCC(C1)O2)C)=O>>CN(C(OC1=CC=CC2=C1C(/C(/O2)=C/C2=CN(C1=NC=CC(=C12)N1CC2CCC(C1)O2)C)=O)=O)C | 5 |
ClC=1C=CC(=C(C1)C(\N=C\1/SC=C(N1CC1CCC1)C)=NC#N)OC>>ClC=1C=CC(=C(C1)C(\N=C\1/SC(=C(N1CC1CCC1)C)C(C)(C)O)=NC#N)OC | 5 |
CC1(N(C(C=2N=C(N=CC21)S(=O)(=O)C)C(=O)OC)C(=O)OCC2=CC=CC=C2)C>>CC1(N(CC=2N=C(N=CC21)SC)C(=O)OCC2=CC=CC=C2)C | 5 |
Cl.[N+:2]([C:5]1[CH:6]=[C:7]([CH:11]=[CH:12][CH:13]=1)[C:8]#[N+:9][O-:10])([O-:4])=[O:3].[CH2:14]([N:17]1[CH2:26][CH2:25][C:24]2[C:19](=[CH:20][CH:21]=[CH:22][CH:23]=2)[CH2:18]1)[C:15]#[CH:16].[OH-].[Na+]>C1(C)C=CC=CC=1>[N+:2]([C:5]1[CH:6]=[C:7]([C:8]2[CH:16]=[C:15]([CH2:14][N:17]3[CH2:26][CH2:25][C:24]4[C:19](=[CH:20][CH:21]=[CH:22][CH:23]=4)[CH2:18]3)[O:10][N:9]=2)[CH:11]=[CH:12][CH:13]=1)([O-:4])=[O:3] | 1 |
C(C1=CC=CC=C1)N.ClC1=NC(=CC2=C1C(=CS2)C2=CC=CC=C2)C>>C(C1=CC=CC=C1)NC1=NC(=CC2=C1C(=CS2)C2=CC=CC=C2)C | 5 |
N1CCC(C(=O)O)CC1.ClC1=NC=C(C=N1)C(=O)OC>N(C)(C)C=O.CCN(CC)CC>COC(=O)C=1C=NC(=NC1)N1CCC(CC1)C(=O)O | 3 |
C(C1=CC=CC=C1)ON=CCOC1CN(CCC1)C(=O)OC(C)(C)C>CO[H].CCO[H].[HH]>NCCOC1CN(CCC1)C(=O)OC(C)(C)C | 3 |
CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]1OC[C@@H](CC1)NC(=O)OC(C)(C)C.C1N(CC12CCNCC2)C2=NC=NC=C2OC2=C(C=C(C=C2)F)C(=O)N2[C@@H](COC[C@H]2C)C>>C[C@H]1N([C@@H](COC1)C)C(=O)C1=C(OC=2C(=NC=NC2)N2CC3(C2)CCN(CC3)C[C@@H]3CC[C@H](CO3)NC(OC(C)(C)C)=O)C=CC(=C1)F | 5 |
NC1CCN(CC1)C(=O)OC(C)(C)C.BrC=1C=NC(=NC1)N1CCOCC1>>C(C)(C)(C)OC(=O)N1CCC(CC1)NC=1C=NC(=NC1)N1CCOCC1 | 5 |
[O:1]=[C:2]1[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[C:4](=[O:11])[N:3]1[CH2:12][CH2:13][CH2:14][CH2:15][CH:16]=[O:17].[S:18]1[CH:22]=[CH:21][CH:20]=[C:19]1[Li].O1CCCC1.[Cl-].[NH4+]>O1CCCC1>[OH:17][CH:16]([C:19]1[S:18][CH:22]=[CH:21][CH:20]=1)[CH2:15][CH2:14][CH2:13][CH2:12][N:3]1[C:4](=[O:11])[C:5]2[C:10](=[CH:9][CH:8]=[CH:7][CH:6]=2)[C:2]1=[O:1] | 2 |
ClC1=CC2=C(C3(OCC2(F)F)CCN(CC3)CC=3C(=NN(C3)C3=NC=CC=C3Cl)C(=O)OCC)S1>>ClC1=CC2=C(S1)C1(CCN(CC1)CC=1C(=NN(C1)C1=NC=CC=C1Cl)CO)OCC2(F)F | 5 |
ClC1=NC=C(C(=O)OCC)C(=C1)NC>O.C1CCCO1.[OH-].[Na+].[H-].[Al+3].[Li+].[H-].[H-].[H-]>ClC1=CC(=C(C=N1)CO)NC | 3 |
CC1=C(C(=CC=C1)C)C1=CC(=NC(=N1)NS(=O)(=O)C1=CC(=CC=C1)[N+](=O)[O-])OC=1C=C(C=CC1)C/C=C/C(=O)O>CCO[H].[HH]>NC=1C=C(C=CC1)S(=O)(=O)NC1=NC(=CC(=N1)OC=1C=C(C=CC1)CCCC(=O)O)C1=C(C=CC=C1C)C | 3 |
[I:1][C:2]1[CH:3]=[C:4]([OH:8])[CH:5]=[CH:6][CH:7]=1.[I:9][C:10]1[CH:15]=[CH:14][CH:13]=[C:12](I)[CH:11]=1.P([O-])([O-])([O-])=O.[K+].[K+].[K+].N1C=CC=CC=1C(O)=O>CS(C)=O.[Cu]I>[O:8]([C:12]1[CH:11]=[C:10]([I:9])[CH:15]=[CH:14][CH:13]=1)[C:4]1[CH:3]=[C:2]([I:1])[CH:7]=[CH:6][CH:5]=1 | 2 |
[NH2:1][C@@H:2]([CH2:7][C:8]([NH:10][C:11]1[CH:23]=[CH:22][C:21]2[C:20]3[C:15](=[CH:16][C:17]([F:24])=[CH:18][CH:19]=3)[CH2:14][C:13]=2[CH:12]=1)=[O:9])[C:3]([O:5]C)=[O:4].O>O1CCCC1>[NH2:1][C@@H:2]([CH2:7][C:8]([NH:10][C:11]1[CH:23]=[CH:22][C:21]2[C:20]3[C:15](=[CH:16][C:17]([F:24])=[CH:18][CH:19]=3)[CH2:14][C:13]=2[CH:12]=1)=[O:9])[C:3]([OH:5])=[O:4] | 2 |
C(C)(C)(C)OC(N[C@H](C(=O)NC1=C(C=CC=C1)CO)[C@H](CC)C)=O>O.ClCCl.[O-2].[O-2].[Mn+4]>C(C)(C)(C)OC(N[C@H](C(=O)NC1=C(C=CC=C1)C=O)[C@H](CC)C)=O | 3 |
[NH:1]1[CH2:6][CH2:5][CH:4](/[CH:7]=[CH:8]/[CH:9]=[CH:10]/[C:11]([OH:13])=[O:12])[CH2:3][CH2:2]1.C1COCC1.C1C(=O)N([O:26][C:27]([O:29][CH2:30][CH:31]2[C:43]3[C:38](=[CH:39][CH:40]=[CH:41][CH:42]=3)[C:37]3[C:32]2=[CH:33][CH:34]=[CH:35][CH:36]=3)=O)C(=O)C1>C([O-])(O)=O.[Na+]>[CH:42]1[C:43]2[CH:31]([CH2:30][O:29][C:27]([N:1]3[CH2:6][CH2:5][CH:4](/[CH:7]=[CH:8]/[CH:9]=[CH:10]/[C:11]([OH:13])=[O:12])[CH2:3][CH2:2]3)=[O:26])[C:32]3[C:37](=[CH:36][CH:35]=[CH:34][CH:33]=3)[C:38]=2[CH:39]=[CH:40][CH:41]=1 | 1 |
C1=CC(=C(C=C1NC(=O)CI)C(=O)O)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O>>C=1C=CC(=C(C1)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O)C(=O)O | 5 |
[CH3:1][C:2]1[C:3](=[O:17])[N:4]([C:9]([C:11]2[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=2)=[O:10])[C:5](=[O:8])[NH:6][N:7]=1.C(=O)([O-])[O-].[K+].[K+].Br[CH2:25][CH2:26][CH:27]([O:30][CH3:31])[O:28][CH3:29]>CN(C)C=O>[CH3:29][O:28][CH:27]([O:30][CH3:31])[CH2:26][CH2:25][N:6]1[C:5](=[O:8])[N:4]([C:9]([C:11]2[CH:12]=[CH:13][CH:14]=[CH:15][CH:16]=2)=[O:10])[C:3](=[O:17])[C:2]([CH3:1])=[N:7]1 | 1 |
C[O:2][C:3]1([CH2:9][N:10]2[C:14]([CH3:15])=[CH:13][CH:12]=[N:11]2)[CH2:8][CH2:7][CH2:6][CH2:5][CH2:4]1.[Br:16]N1C(=O)CCC1=O>CN(C)C(=O)C.C(OCC)(=O)C>[Br:16][C:13]1[CH:12]=[N:11][N:10]([CH2:9][C:3]2([OH:2])[CH2:8][CH2:7][CH2:6][CH2:5][CH2:4]2)[C:14]=1[CH3:15] | 1 |
CN([P+](ON1N=[N:19][C:14]2[CH:15]=[CH:16][CH:17]=[CH:18][C:13]1=2)(N(C)C)N(C)C)C.F[P-](F)(F)(F)(F)F.C([N:31]([CH2:35]C)[CH:32]([CH3:34])[CH3:33])(C)C.Cl.CNOC.C(N(C)[C@H](C(O)=O)C[O:62][CH2:63][C:64]1[CH:69]=[CH:68][CH:67]=[CH:66][CH:65]=1)(OCC1C2C(=CC=CC=2)C2C1=CC=CC=2)=O.[H-].[Al+3].[Li+].[H-].[H-].[H-].[Cl-].[NH4+].NC1C=C2C([CH:87]=[C:88]([C:94]3[CH:99]=[CH:98][CH:97]=[CH:96][C:95]=3[C:100]([F:103])([F:102])[F:101])[NH:89][C:90]2=[O:93])=CC=1.C([BH3-])#N.[Na+].C(=O)(O)[O-].[Na+].N1CCCCC1>ClCCl.C(O)(=O)C>[CH2:63]([O:62][CH2:34][C@H:32]([NH:31][CH3:35])[CH2:33][NH:19][C:14]1[CH:13]=[C:18]2[C:17]([CH:87]=[C:88]([C:94]3[CH:99]=[CH:98][CH:97]=[CH:96][C:95]=3[C:100]([F:101])([F:102])[F:103])[NH:89][C:90]2=[O:93])=[CH:16][CH:15]=1)[C:64]1[CH:69]=[CH:68][CH:67]=[CH:66][CH:65]=1 | 1 |
[NH2:1][C:2]1[C:11]([CH3:12])=[CH:10][C:9]([CH3:13])=[CH:8][C:3]=1[C:4]([O:6][CH3:7])=[O:5].[CH2:14]1[O:16][CH2:15]1.[C:17](O)(=[O:19])[CH3:18]>>[OH:19][CH2:17][CH2:18][N:1]([CH2:15][CH2:14][OH:16])[C:2]1[C:11]([CH3:12])=[CH:10][C:9]([CH3:13])=[CH:8][C:3]=1[C:4]([O:6][CH3:7])=[O:5] | 1 |
[H-].[Na+].C1C[O:6][CH2:5][CH2:4]1.[F:8][C:9]1[CH:10]=[C:11]2[C:15](=[CH:16][CH:17]=1)[C:14](=[O:18])[CH2:13][CH2:12]2.Cl>C(OCC)(=O)C>[C:5]([CH:13]1[CH2:12][C:11]2[C:15](=[CH:16][CH:17]=[C:9]([F:8])[CH:10]=2)[C:14]1=[O:18])(=[O:6])[CH3:4] | 2 |
[F:1][C:2]1[C:12]2[CH2:11][CH2:10][CH2:9][CH2:8][NH:7][C:6]=2[C:5]([NH2:13])=[CH:4][CH:3]=1.[C:14]([O:18][C:19]([NH:21][C@@H:22]([CH3:26])[C:23](O)=[O:24])=[O:20])([CH3:17])([CH3:16])[CH3:15].C1C=NC2N(O)N=NC=2C=1.CCN=C=NCCCN(C)C.Cl>C(Cl)Cl>[C:14]([O:18][C:19](=[O:20])[NH:21][C@H:22]([C:23](=[O:24])[NH:13][C:5]1[C:6]2[NH:7][CH2:8][CH2:9][CH2:10][CH2:11][C:12]=2[C:2]([F:1])=[CH:3][CH:4]=1)[CH3:26])([CH3:15])([CH3:16])[CH3:17] | 1 |
C(C)OC(OCC)OCC.NC=1C=C(C(=O)O)C=CC1O>>O1C=NC2=C1C=CC(=C2)C(=O)O | 3 |
C(C)OC(CCCCCBr)=O.C(#N)C=1NC2=CC=CC=C2C1>N(C)(C)C=O.[H-].[Na+]>C(#N)C=1C=C2C=CN(C2=CC1)CCCCCC(=O)OCC | 3 |
C(C=C)I.COC(=O)C1CCN(CC1)C(=O)OCC1=CC=CC=C1>C1CCCO1.C[Si](C)(C)[N-][Si](C)(C)C.[Li+]>C(C=C)C1(CCN(CC1)C(=O)OCC1=CC=CC=C1)C(=O)OC | 3 |
[NH:1]([C:3]1[C:12]2[C:7](=[CH:8][CH:9]=[CH:10][CH:11]=2)[C:6]([CH2:13][C:14]#[N:15])=[N:5][N:4]=1)[NH2:2].C(N(CC)CC)C.[CH3:23][O:24][C:25]1[CH:33]=[CH:32][C:28]([C:29](Cl)=O)=[CH:27][CH:26]=1>O1CCOCC1>[CH3:23][O:24][C:25]1[CH:33]=[CH:32][C:28]([C:29]2[N:4]3[N:5]=[C:6]([CH2:13][C:14]#[N:15])[C:7]4[C:12]([C:3]3=[N:1][N:2]=2)=[CH:11][CH:10]=[CH:9][CH:8]=4)=[CH:27][CH:26]=1 | 1 |
C(C)(=O)OCC.CO.C(C)S[C@H]1[C@@H](C(N1C(C)=O)=O)CCCNC(=NC(=O)OCC1=CC=CC=C1)NC(=O)OCC1=CC=CC=C1>Cl.[Pd]C>Cl.C(C)S[C@H]1[C@@H](C(N1C(C)=O)=O)CCCNC(=N)N | 3 |
[C:1]([C:4]1[S:5][C:6](Br)=[CH:7][CH:8]=1)(=[O:3])[CH3:2].[F:10][C:11]([F:22])([F:21])[C:12]1[CH:13]=[C:14](B(O)O)[CH:15]=[CH:16][CH:17]=1>>[F:10][C:11]([F:22])([F:21])[C:12]1[CH:17]=[C:16]([C:6]2[S:5][C:4]([C:1](=[O:3])[CH3:2])=[CH:8][CH:7]=2)[CH:15]=[CH:14][CH:13]=1 | 1 |
Cl.ClCCN1CCOCC1.CS(=O)(=O)NC1=C2C=CN(C2=CC=C1)CC(=O)OC>>O1CCN(CC1)CCN(S(=O)(=O)C)C1=C2C=CN(C2=CC=C1)CC(=O)OC | 5 |
CI.[N+](=O)([O-])C1=CC2=C(CCCC(N2)=O)C=C1>>CN1C(CCCC2=C1C=C(C=C2)[N+](=O)[O-])=O | 5 |
[C:1]([C:3]1([OH:10])[CH2:9][CH2:8][CH2:7][CH2:6][CH2:5][CH2:4]1)#[CH:2].C(N(CC)CC)C.Br[C:19]1[CH:40]=[CH:39][C:22]([C:23]([NH:25][S:26]([C:29]2[CH:34]=[CH:33][CH:32]=[CH:31][C:30]=2[S:35](=[O:38])(=[O:37])[NH2:36])(=[O:28])=[O:27])=[O:24])=[CH:21][C:20]=1[O:41][CH:42]([CH3:44])[CH3:43]>CN(C)C=O.C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)[P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.[Cu]I>[OH:10][C:3]1([C:1]#[C:2][C:19]2[CH:40]=[CH:39][C:22]([C:23]([NH:25][S:26]([C:29]3[CH:34]=[CH:33][CH:32]=[CH:31][C:30]=3[S:35](=[O:37])(=[O:38])[NH2:36])(=[O:27])=[O:28])=[O:24])=[CH:21][C:20]=2[O:41][CH:42]([CH3:44])[CH3:43])[CH2:9][CH2:8][CH2:7][CH2:6][CH2:5][CH2:4]1 | 2 |
C(C)(C)(C)OC(N(C)[C@@H](C)C(N[C@H]1CCC2=C(N(C1=O)CC1=C(C=CC3=CC=CC=C13)OCC=C)C=CC=C2)=O)=O>>C(C)(C)(C)OC(N([C@@H](C)C(N[C@H]1CCC2=C(N(C1=O)CC1=C(C=CC3=CC=CC=C13)OCCC)C=CC=C2)=O)C)=O | 5 |
C1(=CC=CC=C1)B(O)O.ClC=1C(=NC=NC1Cl)N>C1(=CC=CC=C1)C.CCO[H].C([O-])([O-])=O.[Na+].[Na+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>ClC=1C(=NC=NC1C1=CC=CC=C1)N | 3 |
FC=1C(=CN(C1C=1C(=NC=CC1)F)S(=O)(=O)C1=CC=C(C=C1)O)CN(C(OC(C)(C)C)=O)C>>Cl.FC1=C(N(C=C1CNC)S(=O)(=O)C1=CC=C(C=C1)O)C=1C(=NC=CC1)F | 5 |
C(C)OC(CCCCCCN1C=CC=2C1=NC(=C(N2)C2=CC=C(C=C2)C)C2=CC=C(C=C2)C)=O>>BrC1=CN(C2=NC(=C(N=C21)C2=CC=C(C=C2)C)C2=CC=C(C=C2)C)CCCCCCC(=O)OCC | 5 |
[CH3:1][C:2]1[C:6]([NH:7][CH:8]([CH3:21])[CH2:9][CH2:10][C:11]2[CH:16]=[CH:15][CH:14]=[C:13]([C:17]([F:20])([F:19])[F:18])[CH:12]=2)=[C:5]([C:22]2[CH:27]=[CH:26][C:25](B3OC(C)(C)C(C)(C)O3)=[CH:24][CH:23]=2)[O:4][N:3]=1.[CH2:37]([O:39][C:40](=[O:50])[C:41]#[C:42][C:43]1[CH:48]=[CH:47][C:46](Br)=[CH:45][CH:44]=1)[CH3:38]>>[CH2:37]([O:39][C:40](=[O:50])[C:41]#[C:42][C:43]1[CH:48]=[CH:47][C:46]([C:25]2[CH:26]=[CH:27][C:22]([C:5]3[O:4][N:3]=[C:2]([CH3:1])[C:6]=3[NH:7][CH:8]([CH3:21])[CH2:9][CH2:10][C:11]3[CH:16]=[CH:15][CH:14]=[C:13]([C:17]([F:19])([F:20])[F:18])[CH:12]=3)=[CH:23][CH:24]=2)=[CH:45][CH:44]=1)[CH3:38] | 1 |
[C:1]([NH:4][C:5]1[CH:10]=[CH:9][CH:8]=[CH:7][CH:6]=1)(=[O:3])[CH3:2].[CH3:11][C:12]1[CH:13]=[C:14]([C:19]2[CH:24]=[CH:23][C:22](I)=[C:21]([CH3:26])[CH:20]=2)[CH:15]=[CH:16][C:17]=1[I:18].C(=O)([O-])[O-].[K+].[K+]>[Cu].[N+](C1C=CC=CC=1)([O-])=O>[CH3:26][C:21]1[CH:20]=[C:19]([C:14]2[CH:15]=[CH:16][C:17]([I:18])=[C:12]([CH3:11])[CH:13]=2)[CH:24]=[CH:23][C:22]=1[N:4]([C:1](=[O:3])[CH3:2])[C:5]1[CH:10]=[CH:9][CH:8]=[CH:7][CH:6]=1 | 1 |
ClCCN1CCOCC1.C(C)OC(=O)C1=CN(CC(C2=C1NC=1C=C(C=CC21)O)(C)C)C(C2=CC=C(C=C2)F)=O>C([O-])([O-])=O.[K+].[K+].CC(=O)C.[I-].[Na+]>C(C)OC(=O)C1=CN(CC(C2=C1NC=1C=C(C=CC21)OCCN2CCOCC2)(C)C)C(C2=CC=C(C=C2)F)=O | 3 |
[N+:1]([C:4]1[CH:9]=[CH:8][C:7]([S:10]([C:13]2[CH:20]=[CH:19][CH:18]=[CH:17][C:14]=2[C:15]#[N:16])(=[O:12])=[O:11])=[CH:6][CH:5]=1)([O-])=O.Cl>C(O)C.[Fe]>[NH2:1][C:4]1[CH:5]=[CH:6][C:7]([S:10]([C:13]2[CH:20]=[CH:19][CH:18]=[CH:17][C:14]=2[C:15]#[N:16])(=[O:12])=[O:11])=[CH:8][CH:9]=1 | 2 |
C([O:5][C:6](=[O:33])/[CH:7]=[CH:8]/[C:9]1[C:10]([NH:23][S:24]([C:27]2[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=2)(=[O:26])=[O:25])=[C:11]([C:19]([O:21][CH3:22])=[O:20])[C:12]2[CH2:13][CH2:14][CH2:15][CH2:16][C:17]=2[CH:18]=1)(C)(C)C.C(O)(C(F)(F)F)=O>C(Cl)Cl>[CH3:22][O:21][C:19]([C:11]1[C:12]2[CH2:13][CH2:14][CH2:15][CH2:16][C:17]=2[CH:18]=[C:9](/[CH:8]=[CH:7]/[C:6]([OH:33])=[O:5])[C:10]=1[NH:23][S:24]([C:27]1[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=1)(=[O:25])=[O:26])=[O:20] | 1 |
NC1=CC=C(C#N)C=C1.C(C(=O)C)(=O)OCC.FC(OC=1C=C(C=O)C=CC1)(F)F>>FC(OC=1C=C(C=CC1)C1C=C(C(N1C1=CC=C(C#N)C=C1)=O)NC1=CC=C(C=C1)C#N)(F)F | 5 |
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