smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
COC1OC(C=C1C1=CC=C(C=C1)C1=NC=CC=N1)OC>>COC1OC(CC1C1=CC=C(C=C1)C1=NC=CC=N1)OC | 5 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH:11]=[C:12]([O:14][CH3:15])[CH:13]=1)/[CH:6]=[CH:7]/[C:8](O)=[O:9].S(Cl)([Cl:18])=O>C(Cl)Cl>[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH:11]=[C:12]([O:14][CH3:15])[CH:13]=1)/[CH:6]=[CH:7]/[C:8]([Cl:18])=[O:9] | 1 |
COCC(C)=O.N[C@@H]1CC[C@H](CC1)NC1=NC=C(C(=C1)C1=NC(=CC=C1)NCC1(CC1)C#N)F>>FC=1C(=CC(=NC1)N[C@@H]1CC[C@H](CC1)NC(COC)C)C1=NC(=CC=C1)NCC1(CC1)C#N | 5 |
BrC=1N=C(N2C1C(=NC=C2)Cl)C2(CCC1N(C(N(CC1)C)=O)C2)C>N.C(C)(C)O>NC=1C=2N(C=CN1)C(=NC2Br)C2(CCC1N(C(N(CC1)C)=O)C2)C | 3 |
CN(CCCO)C.ClC1=NC(=NC(=C1C1=C(C=C(C=C1F)F)F)NCC(F)(F)F)N(C#N)C>>ClC1=NC(=NC(=C1C1=C(C=C(C=C1F)OCCCN(C)C)F)NCC(F)(F)F)N(C#N)C | 5 |
[CH2:1]([N:3]1[C:7]2[NH:8][CH:9]([CH3:24])[CH2:10][S:11][CH:12]([C:13]3[CH:18]=[CH:17][C:16]([C:19]#[C:20][CH2:21][OH:22])=[CH:15][C:14]=3[CH3:23])[C:6]=2[C:5]([C:25]2[CH:30]=[CH:29][CH:28]=[CH:27][N:26]=2)=[N:4]1)[CH3:2].CO>[Pd].C1COCC1>[CH2:1]([N:3]1[C:7]2[NH:8][CH:9]([CH3:24])[CH2:10][S:11][CH:12]([C:13]3[CH:18]=[CH... | 1 |
OCC1=CC=C(OC2=CC=C(C=N2)NC(C2=CC=C(C=C2)C(F)(F)F)=O)C=C1>>ClCC1=CC=C(OC2=CC=C(C=N2)NC(C2=CC=C(C=C2)C(F)(F)F)=O)C=C1 | 5 |
[O:1]=[S:2]1(=[O:22])[C:6]2[CH:7]=[CH:8][CH:9]=[CH:10][C:5]=2[S:4](=[O:12])(=[O:11])[N:3]1[C:13]1[CH:21]=[CH:20][C:16]([C:17](O)=[O:18])=[CH:15][CH:14]=1.C(Cl)(=O)C([Cl:26])=O.CN(C=O)C>ClCCl>[O:1]=[S:2]1(=[O:22])[C:6]2[CH:7]=[CH:8][CH:9]=[CH:10][C:5]=2[S:4](=[O:12])(=[O:11])[N:3]1[C:13]1[CH:21]=[CH:20][C:16]([C:17]([Cl... | 1 |
[C-]#N.[Zn+2].[C-]#N.NC1=C(C(=O)NC)C=C(C=C1C)Br>N(C)(C)C=O.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.[Zn].C(C)(=O)O.C1(=CC=CC=C1)P(CCCCP(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1>NC1=C(C(=O)NC)C=C(C=C1C)C#N | 3 |
CI.ClC=1C2=C(N=CN1)N(C=C2I)COCC[Si](C)(C)C>>ClC=1C2=C(N=CN1)N(C(=C2I)C)COCC[Si](C)(C)C | 5 |
[F:1][C:2]1[CH:9]=[C:8]([O:10][CH3:11])[CH:7]=[CH:6][C:3]=1[C:4]#[N:5].[Br:12]Br.C(Cl)Cl>C(Cl)(Cl)Cl>[Br:12][C:7]1[C:8]([O:10][CH3:11])=[CH:9][C:2]([F:1])=[C:3]([CH:6]=1)[C:4]#[N:5] | 1 |
CN1N=CC(=C1)C1=CC=2N(C(=N1)C=1C=NNC1)C=CN2.C1(CC1)C=CC#N>>C1(CC1)C(CC#N)N1N=CC(=C1)C1=NC(=CC=2N1C=CN2)C=2C=NN(C2)C | 5 |
NC=1C=C(C=CC1C)B(O)O.IC1=CC=C(OC2CN3CCC2CC3)C=C1>>Cl.N12CC(C(CC1)CC2)OC2=CC=C(C=C2)C2=CC(=C(C=C2)C)N | 5 |
I[Si](C)(C)C.C(C1=CC=CC=C1)OC(=O)N1[C@@H]2C[C@H]([C@H](C1)C2)OCC=2C(=NOC2C2CC2)C2=C(C=CC=C2C)Cl>C(C)OCC.ClCCl.Cl>ClC1=C(C(=CC=C1)C)C1=NOC(=C1CO[C@H]1[C@@H]2CN[C@H](C1)C2)C2CC2 | 3 |
CC1(C2=CC=CC=C2C=2C=CC(=CC12)NC=1C=CC=2C=CC3=CC=CC=C3C2C1)C.BrC1=CC=CC=2C(C3=CC=CC=C3C12)(C1=CC=CC=C1)C1=CC=CC=C1>>CC1(C2=CC=CC=C2C=2C=CC(=CC12)N(C=1C=CC=2C=CC3=CC=CC=C3C2C1)C1=CC=CC=2C(C3=CC=CC=C3C12)(C1=CC=CC=C1)C1=CC=CC=C1)C | 5 |
COC(CC1=CC=C(C=C1)C1=C(C=C(C=C1)C(CC)(C1=CC(=C(C=C1)\C=C\C(C(F)(F)F)(C(F)(F)F)O)C)CC)C)=O>>C(C)C(CC)(C1=CC(=C(C=C1)\C=C\C(C(F)(F)F)(C(F)(F)F)O)C)C1=CC(=C(C=C1)C1=CC=C(C=C1)CC(=O)O)C | 5 |
C(C=C)C=1C=CC(=C(C(=O)OCC)C1)S(=O)(=O)C1=CC=C(C=C1)C[C@@H](C)NC(C(F)(F)F)=O>>C(CC)C=1C=CC(=C(C(=O)OCC)C1)S(=O)(=O)C1=CC=C(C=C1)C[C@@H](C)NC(C(F)(F)F)=O | 5 |
Cl[C:2]1[C:7]([CH3:8])=[C:6]([Cl:9])[N:5]=[CH:4][C:3]=1[C:10]([N:12]1[CH2:17][CH2:16][CH:15]([C:18]2[CH:23]=[CH:22][C:21]([F:24])=[CH:20][CH:19]=2)[CH2:14][CH2:13]1)=[O:11].[CH2:25]([C:27]1[CH:33]=[CH:32][CH:31]=[CH:30][C:28]=1[NH2:29])[CH3:26]>>[Cl:9][C:6]1[N:5]=[CH:4][C:3]([C:10]([N:12]2[CH2:17][CH2:16][CH:15]([C:18]... | 2 |
O=C1C2=C(C=CC3=C1C=CC(=C3)C(C(=O)[O-])C)C=CC=C2.[Na+]>O>O=C1C2=C(C=CC3=C1C=CC(=C3)C(C(=O)[O-])C)C=CC=C2.[Ca+2].O=C2C3=C(C=CC1=C2C=CC(=C1)C(C(=O)[O-])C)C=CC=C3 | 3 |
[Br:1][C:2]1[CH:8]=[C:7]([CH3:9])[CH:6]=[C:5]([CH3:10])[C:3]=1[NH2:4].[F:11][C:12]1[CH:17]=[CH:16][C:15]([CH2:18][C:19](Cl)=[O:20])=[CH:14][CH:13]=1>C(#N)C>[Br:1][C:2]1[CH:8]=[C:7]([CH3:9])[CH:6]=[C:5]([CH3:10])[C:3]=1[NH:4][C:19](=[O:20])[CH2:18][C:15]1[CH:16]=[CH:17][C:12]([F:11])=[CH:13][CH:14]=1 | 1 |
C(C1=CC=CC=C1)NC1(CC2=CC(=C(C=C2C1)CC)CC)C>CO[H].[HH].[Pd]>C(C)C=1C=C2CC(CC2=CC1CC)(C)N | 3 |
CO[C:3]1[CH:8]=[CH:7][C:6]([C@@H:9]([N:11]([CH2:22][C:23]2[N:24]=[C:25]3[CH:30]=[CH:29][CH:28]=[C:27]([N:31]4[CH2:36][CH2:35][N:34]([CH3:37])[CH2:33][CH2:32]4)[N:26]3[CH:38]=2)[C@@H:12]2[C:21]3[N:20]=[CH:19][CH:18]=[CH:17][C:16]=3[CH2:15][CH2:14][CH2:13]2)C)=[CH:5][CH:4]=1.[F:39][C:40]([F:50])([F:49])C1C=CC(C=O)=CC=1>>... | 2 |
BrC=1C=CC(=NC1)C#CC(C)O>>BrC=1C=CC(=NC1)C=CC(C)O | 5 |
NC1=CC=C(CN)C=C1.C(=C)S(=O)(=O)C=C>C1CCCO1>NC1=CC=C(CN2CCS(CC2)(=O)=O)C=C1 | 3 |
Br[C:2]1[C:7]([F:8])=[CH:6][C:5]([C:9]2[C:18]3[C:13](=[CH:14][C:15]([S:19]([NH:22][C:23]4[CH:27]=[CH:26][O:25][N:24]=4)(=[O:21])=[O:20])=[CH:16][CH:17]=3)[CH:12]=[N:11][N:10]=2)=[C:4]([O:28][CH3:29])[CH:3]=1.C(=O)([O-])[O-].[K+].[K+].B(O)(O)[C:37]1[CH:42]=[CH:41][CH:40]=[C:39]([C:43]([F:46])([F:45])[F:44])[CH:38]=1>C1C... | 2 |
[CH3:1][O:2][C:3]1[CH:8]=[C:7]([O:9][CH3:10])[CH:6]=[CH:5][C:4]=1[N:11]1[CH2:16][CH2:15][N:14]([CH2:17][CH2:18][CH2:19][CH2:20][N:21]2C(=O)C3C(=CC=CC=3)C2=O)[CH2:13][CH2:12]1.O.NN>C(O)C>[CH3:1][O:2][C:3]1[CH:8]=[C:7]([O:9][CH3:10])[CH:6]=[CH:5][C:4]=1[N:11]1[CH2:12][CH2:13][N:14]([CH2:17][CH2:18][CH2:19][CH2:20][NH2:21... | 2 |
NC1=NC=C(C=C1OCC1CCN(CC1)C(=O)OC(C)(C)C)Br>CS(=O)C.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+]>NC1=NC=C(C=C1OCC1CCN(CC1)C(=O)OC(C)(C)C)B1OC(C(O1)(C)C)(C)C | 3 |
[Si](C)(C)(C(C)(C)C)OC=1C=C(C=CCO)C=CC1O[Si](C)(C)C(C)(C)C>>C1=CC(=C(C=C1/C=C/C=O)O)O | 5 |
Cl.NCC1=CC=C(C(=O)OC)C=C1>C(Cl)(Cl)(Cl)[H].CCN(CC)CC.C(=S)(N1C=NC=C1)N1C=NC=C1>COC(=O)C1=CC=C(CNC(=S)N)C=C1 | 3 |
[CH2:1]([NH:3][C:4]1[CH:20]=[CH:19][C:7]([NH:8][C:9](=[O:18])[CH2:10][N:11]2[CH2:16][CH2:15][N:14]([CH3:17])[CH2:13][CH2:12]2)=[CH:6][C:5]=1[N+:21]([O-])=O)[CH3:2].C1(C)C=CC(S([O-])(=O)=O)=CC=1.[CH2:35]([N:42]1[C:46](=[O:47])[C:45](=[C:48]2[N:52]([CH3:53])[C:51]3[CH:54]=[CH:55][CH:56]=[CH:57][C:50]=3[S:49]2)[S:44][CH2+... | 1 |
[F:1][C:2]1[CH:3]=[C:4]([N:16]2[CH2:21][CH2:20][NH:19][CH2:18][CH2:17]2)[C:5]2[O:9][C:8]([C:10]([N:12]([CH3:14])[CH3:13])=[O:11])=[CH:7][C:6]=2[CH:15]=1.Br[CH2:23][CH2:24][C:25]1[CH:30]=[CH:29][CH:28]=[CH:27][N:26]=1.Br.C(N(CC)CC)C>>[F:1][C:2]1[CH:3]=[C:4]([N:16]2[CH2:21][CH2:20][N:19]([CH2:23][CH2:24][C:25]3[CH:30]=[C... | 1 |
C1(CCCCC1)CCC[C@H](CC(=O)O)C=1OC=C(N1)C(=O)OCC>>C1(CCCCC1)CCC[C@H](CC(=O)NO)C=1OC=C(N1)C(=O)OCC | 5 |
[CH3:1][C:2]1([CH3:17])[CH2:16][C:6]2[C:7]3[CH:13]=[CH:12][C:11]([C:14]#[N:15])=[CH:10][C:8]=3[NH:9][C:5]=2[CH2:4][CH2:3]1.Br[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH3:26]>>[CH3:1][C:2]1([CH3:17])[CH:16]([CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH3:26])[C:6]2[C:7]3[CH:13]=[CH:12][C:11]... | 1 |
[CH2:1]([N:3]1[C:7]([CH:8]=O)=[CH:6][CH:5]=[N:4]1)[CH3:2].[CH3:10][O:11][C:12]1[CH:13]=[C:14]([CH:16]=[CH:17][CH:18]=1)[NH2:15]>>[CH2:1]([N:3]1[C:7]([CH:8]=[N:15][C:14]2[CH:16]=[CH:17][CH:18]=[C:12]([O:11][CH3:10])[CH:13]=2)=[CH:6][CH:5]=[N:4]1)[CH3:2] | 2 |
Br[C:2]1[C:3](=[O:32])[N:4]([CH2:24][CH2:25][C:26]2[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=2)[C:5]([C:9]2[CH:14]=[CH:13][CH:12]=[C:11]([F:15])[C:10]=2[O:16]CC2C=CC=CC=2)=[N:6][C:7]=1[CH3:8].[CH3:33][C:34]1[N:35]=[C:36]([Sn](CCCC)(CCCC)CCCC)[S:37][C:38]=1[CH3:39].C([Sn](CCCC)(CCCC)C1SC=CN=1)CCC.Br>C(O)(=O)C>[CH:26]1([CH2:... | 2 |
CO[CH2:3][Cl:4].[CH3:5][C:6]1[S:7][C:8]2[CH:14]=[CH:13][CH:12]=[CH:11][C:9]=2[CH:10]=1.O>ClC(Cl)C.[Cl-].[Cl-].[Zn+2]>[Cl:4][CH2:3][C:10]1[C:9]2[CH:11]=[CH:12][CH:13]=[CH:14][C:8]=2[S:7][C:6]=1[CH3:5] | 2 |
FC1=C(C(=C(C=C1OC)OC)F)N1C(N(C2=C(C1)C=NC1=C2C=C(N1S(=O)(=O)C1=CC=CC=C1)CN1CCOCC1)CC)=O>O.[OH-].[Na+].O1CCOCC1>FC1=C(C(=C(C=C1OC)OC)F)N1C(N(C2=C(C1)C=NC1=C2C=C(N1)CN1CCOCC1)CC)=O | 3 |
[Cl:1][C:2]1[CH:7]=[C:6]([O:8][CH3:9])[CH:5]=[CH:4][C:3]=1[CH2:10][C:11]([OH:13])=O.C(Cl)(=O)C(Cl)=O.[CH3:20][NH2:21].C1COCC1>C(Cl)Cl.CN(C=O)C>[Cl:1][C:2]1[CH:7]=[C:6]([O:8][CH3:9])[CH:5]=[CH:4][C:3]=1[CH2:10][C:11]([NH:21][CH3:20])=[O:13] | 1 |
[NH:1](C(OCC1C2C(=CC=CC=2)C2C1=CC=CC=2)=O)[C@H:2]([C:6]([NH:8][C@H:9]([C:17]([OH:19])=[O:18])[CH2:10][CH2:11][CH2:12][NH:13][C:14]([NH2:16])=[O:15])=[O:7])[CH:3]([CH3:5])[CH3:4].[CH3:37][CH2:38][C@@H:39]([C@H:41]([N:71]([C:73]([C@@H:75]([NH:79][C:80]([C@@H:82]([N:86]([C:88]([O:90][CH2:91][C:92]1[CH:93]=[CH:94][C:95]([N... | 2 |
C(OC([N:8]1[CH:12]([CH2:13][CH:14]2[CH2:19][CH2:18][CH2:17][CH2:16][CH2:15]2)[CH:11]([CH:20]([OH:24])[CH2:21][S:22][CH3:23])[O:10]C1(C)C)=O)(C)(C)C.[ClH:27]>O1CCOCC1>[ClH:27].[NH2:8][CH:12]([CH2:13][CH:14]1[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]1)[CH:11]([OH:10])[CH:20]([OH:24])[CH2:21][S:22][CH3:23] | 1 |
[CH:1]([C:3]1[C:8]([C:9]2[C:10]([CH:18]=[O:19])=[CH:11][C:12]3[O:16][CH2:15][O:14][C:13]=3[CH:17]=2)=[C:7]([O:20][CH3:21])[C:6]([O:22][CH3:23])=[C:5]([O:24][CH3:25])[CH:4]=1)=[O:2].[BH4-].[Na+].O.C(OCC)(=O)C>CO>[OH:2][CH2:1][C:3]1[C:8]([C:9]2[C:10]([CH2:18][OH:19])=[CH:11][C:12]3[O:16][CH2:15][O:14][C:13]=3[CH:17]=2)=[... | 1 |
[CH3:1][S:2](Cl)(=[O:4])=[O:3].[C:6]([O:10][C:11]([N:13]1[CH2:17][CH2:16][C@H:15]([OH:18])[C@H:14]1[C:19](=[O:24])[N:20]([O:22][CH3:23])[CH3:21])=[O:12])([CH3:9])([CH3:8])[CH3:7].C(N(CC)CC)C>ClCCl>[C:6]([O:10][C:11]([N:13]1[CH2:17][CH2:16][C@H:15]([O:18][S:2]([CH3:1])(=[O:4])=[O:3])[C@H:14]1[C:19](=[O:24])[N:20]([O:22]... | 2 |
N(=[N+]=[N-])C([C@@H](O)C1=CC=CC=C1)(C1=CC(=CC=C1)OC(F)(F)F)C1=CC(=CC=C1)OC(F)(F)F>>NC([C@@H](O)C1=CC=CC=C1)(C1=CC(=CC=C1)OC(F)(F)F)C1=CC(=CC=C1)OC(F)(F)F | 5 |
[C:1]1([C:7]2[CH:15]=[CH:14][CH:13]=[CH:12][C:8]=2[C:9]([OH:11])=O)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.S(Cl)(Cl)=O.CN(C)C=O.[NH2:25][C:26]1[CH:49]=[CH:48][C:29]([C:30]([N:32]2[C:38]3[CH:39]=[CH:40][CH:41]=[CH:42][C:37]=3[S:36](=[O:44])(=[O:43])[N:35]3[CH2:45][CH2:46][CH2:47][C@H:34]3[CH2:33]2)=[O:31])=[CH:28][CH:27]=1>O... | 1 |
[NH:1]([C:3](=[O:24])[C:4]([NH:6][C:7]1[CH:12]=[CH:11][C:10]([C@H]2CC[C@H](CC(OC)=O)CC2)=[CH:9][CH:8]=1)=[O:5])[NH2:2].O=C(NC1C=C[C:35]([S:38](CCC)(=[O:40])=[O:39])=[CH:34][CH:33]=1)C(OC)=O>>[NH:1]([C:3](=[O:24])[C:4]([NH:6][C:7]1[CH:8]=[CH:9][C:10]([S:38]([CH2:35][CH2:34][CH3:33])(=[O:40])=[O:39])=[CH:11][CH:12]=1)=[O... | 1 |
C1(CCCCC1)C(=O)C1=CC=CC=C1>C(CCC)N.F[B-](F)(F)F.C(CCC)[N+]1=CN(C=C1)C>C1(CCCCC1)C(O)C1=CC=CC=C1 | 3 |
C1COCCN1.C1[C@@H](C)O1>>O1CCN(CC1)C[C@@H](C)O | 3 |
CC([O-])(C)C.[K+].C1COCC1.[CH3:12][C:13]1[CH:14]=[C:15]([OH:20])[CH:16]=[CH:17][C:18]=1[CH3:19].[C:21](#[N:24])[CH:22]=[CH2:23]>>[CH3:12][C:13]1[CH:14]=[C:15]([CH:16]=[CH:17][C:18]=1[CH3:19])[O:20][CH2:23][CH2:22][C:21]#[N:24] | 2 |
[NH:1]1[CH:5]=[CH:4][C:3]([O:6][CH2:7][C:8]2[C:13]([CH3:14])=[CH:12][CH:11]=[CH:10][C:9]=2[N:15]2[C:19](=[O:20])[N:18]([CH3:21])[N:17]=[N:16]2)=[N:2]1.[CH3:22][C:23]1[N:28]=[C:27]([O:29][CH3:30])[C:26](B(O)O)=[CH:25][CH:24]=1.N1C=CC=CC=1>C([O-])(=O)C.[Cu+2].C([O-])(=O)C.C(#N)C>[CH3:22][C:23]1[N:28]=[C:27]([O:29][CH3:30... | 2 |
N1=C(C=NC=C1)C=1C=CC(=NC1)N.FC1=NC=CC(=C1)C1=NC=C(C=C1)CC(=O)O>>FC1=NC=CC(=C1)C1=NC=C(C=C1)CC(=O)NC1=NC=C(C=C1)C1=NC=CN=C1 | 5 |
[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][C:11]([C:17]2[CH:18]=[N:19][CH:20]=[CH:21][CH:22]=2)([C:14](O)=[O:15])[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].B.C1COCC1>O1CCCC1>[OH:15][CH2:14][C:11]1([C:17]2[CH:18]=[N:19][CH:20]=[CH:21][CH:22]=2)[CH2:10][CH2:9][N:8]([C:6]([O:5][C:1]([CH3:3])([CH3:4])[CH3:2])=[O:7])[CH... | 1 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([C:9](=[O:12])[CH2:10][CH3:11])[CH:6]=[CH:7][CH:8]=1.Cl.[CH3:14][NH:15][CH3:16].[CH2:17]=O.Cl.[OH-].[Na+]>CC(O)C.O.C1(C)C=CC=CC=1>[CH3:14][N:15]([CH3:16])[CH2:11][CH:10]([CH3:17])[C:9]([C:5]1[CH:6]=[CH:7][CH:8]=[C:3]([O:2][CH3:1])[CH:4]=1)=[O:12] | 1 |
C(C)OC(CCCCCCCCC\C=C\CCCl)OCC>CC(C)(C)[O-].[K+].O.C1CCCO1.CCCCCC>C(C)OC(CCCCCCCCC\C=C\C=C)OCC | 3 |
CC(=O)C=1C=CC(=CC1O)O>>BrC=1C(=C(C=CC1O)C(C)=O)O | 5 |
[OH:1][C@@H:2]([CH3:15])[CH2:3][N:4]1[CH:8]=[C:7]([C:9]([O:11]CC)=[O:10])[N:6]=[C:5]1[CH3:14].[OH-].[Na+].Cl>CO.C1COCC1>[OH:1][C@@H:2]([CH3:15])[CH2:3][N:4]1[CH:8]=[C:7]([C:9]([OH:11])=[O:10])[N:6]=[C:5]1[CH3:14] | 1 |
[CH3:1][O:2][CH2:3][CH2:4][C:5]1[CH:10]=[CH:9][C:8]([C:11]2[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=2)=[CH:7][CH:6]=1.[I:17](O)(=O)=O.II.S(=O)(=O)(O)O.S([O-])([O-])(=O)=S.[Na+].[Na+]>C(Cl)(Cl)(Cl)Cl.O.C(O)(=O)C>[CH3:1][O:2][CH2:3][CH2:4][C:5]1[CH:10]=[CH:9][C:8]([C:11]2[CH:16]=[CH:15][C:14]([I:17])=[CH:13][CH:12]=2)=[CH:7... | 1 |
CC1=NC=CN1CC2CCC3=C(C=4C=CC=CC4N3C)C2=O.Cl>CCO[H]>CC1=NC=CN1CC2CCC3=C(C=4C=CC=CC4N3C)C2=O | 3 |
C(#N)C(=O)OCC.C(C)(C)C1C(CC(CC1)=O)C1=CC(=CC2=CC=CC=C12)OCC1=CC=C(C=C1)OC>C1CCCO1.C[Si](C)(C)[N-][Si](C)(C)C.[Li+].[Cl-].[NH4+]>C(C)(C)C1C(CC(C(C1)C(=O)OCC)=O)C1=CC(=CC2=CC=CC=C12)OCC1=CC=C(C=C1)OC | 3 |
[C:1]([O:9][CH3:10])(=[O:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[C:11]1(O)[CH:16]=[CH:15]C=[CH:13][CH:12]=1>CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Ti+4].CO>[C:1]([O:9][C:10]1[CH:15]=[CH:16][CH:11]=[CH:12][CH:13]=1)(=[O:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 1 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[S:17][C:11]3[C:12](=[O:16])[NH:13][N:14]=[CH:15][C:10]=3[CH:9]=2)=[CH:4][CH:3]=1.[H-].[Na+].CS(O[CH2:25][C:26]1[N:31]=[C:30]([O:32][CH2:33][C@H:34]2[CH2:38][CH2:37][CH2:36][N:35]2[C:39]([O:41][C:42]([CH3:45])([CH3:44])[CH3:43])=[O:40])[CH:29]=[CH:28][CH:27]=1)(=O)=O.O>CN(C=O)C>[Cl:... | 1 |
C(CCC)NCCCC.CC1=C(C=CC(=C1)C)N=C=O>CCCCCC>C(CCC)N(C(=O)NC1=C(C=C(C=C1)C)C)CCCC | 3 |
[CH3:1][C@H:2]1[CH2:6][CH2:5][CH2:4][N:3]1[C@H:7]1[CH2:11][CH2:10][N:9]([C:12]2[CH:13]=[N:14][C:15]([N+:18]([O-])=O)=[CH:16][CH:17]=2)[CH2:8]1>CO.[Pd]>[CH3:1][C@H:2]1[CH2:6][CH2:5][CH2:4][N:3]1[C@H:7]1[CH2:11][CH2:10][N:9]([C:12]2[CH:17]=[CH:16][C:15]([NH2:18])=[N:14][CH:13]=2)[CH2:8]1 | 1 |
[Cl:1][C:2]1[CH:7]=[C:6]([CH2:8][OH:9])[CH:5]=[CH:4][N:3]=1.[C:10]([Si:14]([CH3:17])([CH3:16])Cl)([CH3:13])([CH3:12])[CH3:11].N1C=CN=C1>CN(C=O)C.O>[Si:14]([O:9][CH2:8][C:6]1[CH:5]=[CH:4][N:3]=[C:2]([Cl:1])[CH:7]=1)([C:10]([CH3:13])([CH3:12])[CH3:11])([CH3:17])[CH3:16] | 1 |
O1C(CCCC1)OCCCCCCCC\C(=C/C(=O)OC)\C(=C\C(=O)OC)\CCCCCCCCOC1OCCCC1>>O1C(CCCC1)OCCCCCCCCC(CC(=O)OC)=C(CC(=O)OC)CCCCCCCCOC1OCCCC1 | 5 |
[CH2:1]([O:3][C:4]1[CH:8]=[C:7]([C:9]2[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=2)[S:6][C:5]=1[C:15]([O:17]C)=[O:16])[CH3:2].[OH-].[K+]>O1CCCC1.O>[CH2:1]([O:3][C:4]1[CH:8]=[C:7]([C:9]2[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=2)[S:6][C:5]=1[C:15]([OH:17])=[O:16])[CH3:2] | 1 |
FC=1C=C(C=C(C1F)F)N1N=CC(=N1)C(=O)O.Cl.NCC1(C(NC(N1)=O)=O)C=1N(C=CN1)C>>CN1C(=NC=C1)C1(NC(NC1=O)=O)CNC(=O)C1=NN(N=C1)C1=CC(=C(C(=C1)F)F)F | 5 |
[NH2:1][C:2]1[S:3][CH:4]=[CH:5][C:6]=1[C:7]([O:9][CH3:10])=[O:8].C(O)(=O)C.CO[C:17](OC)([CH3:19])[CH3:18].C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+]>ClCCl.FC(F)(F)C(O)=O>[CH:17]([NH:1][C:2]1[S:3][CH:4]=[CH:5][C:6]=1[C:7]([O:9][CH3:10])=[O:8])([CH3:19])[CH3:18] | 1 |
N[C:2]1[C:6]2=[N:7][CH:8]=[CH:9][CH:10]=[C:5]2[S:4][C:3]=1[C:11]([O:13][CH3:14])=[O:12].N([O-])=O.[Na+]>>[S:4]1[C:5]2[C:6](=[N:7][CH:8]=[CH:9][CH:10]=2)[CH:2]=[C:3]1[C:11]([O:13][CH3:14])=[O:12] | 1 |
ClC=1C=CC(=C(C1)B(O)O)C.BrC1=C(N(N=C1)C)NC1=CC=C(C=C1)I>O.COCCOC.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(=O)([O-])[O-].[Cs+].[Cs+]>BrC1=C(N(N=C1)C)NC1=CC=C(C=C1)C1=C(C=CC(=C1)Cl)C | 3 |
C(C1=CC=CC=C1)OC=1C(=C(NC2=CC=C(C=C2)F)C=CC1)C#CC(CCO[Si](C)(C)C(C)(C)C)(C)C>CC#N.Cl[Pd]Cl>C(C1=CC=CC=C1)OC1=C2C=C(N(C2=CC=C1)C1=CC=C(C=C1)F)C(CCO[Si](C)(C)C(C)(C)C)(C)C | 3 |
B(Br)(Br)Br.[CH2:5]([C:7]1([CH2:62][CH3:63])[C:19]2[CH:18]=[C:17]([C:20]3[CH:25]=[CH:24][C:23]([C:26]4[CH:31]=[CH:30][C:29]([O:32]CCCCCCCC)=[CH:28][CH:27]=4)=[CH:22][CH:21]=3)[CH:16]=[CH:15][C:14]=2[C:13]2[C:8]1=[CH:9][C:10]([C:41]1[CH:46]=[CH:45][C:44]([C:47]3[CH:52]=[CH:51][C:50]([O:53]CCCCCCCC)=[CH:49][CH:48]=3)=[CH... | 1 |
C(C)(C)(C)OC(=O)N1C(OC[C@@H]1CN1CCC(CC1)C(C1=CC=C(C=C1)F)=O)(C)C>CCO[H].Cl.O1CCOCC1>Cl.N[C@@H](CN1CCC(CC1)C(=O)C1=CC=C(C=C1)F)CO | 3 |
C1(=CC=CC=C1)[C@@H](C)O.CN(C1CCNCC1)CC=1C=NC(=CC1)C1=CC=C(C=C1)S(=O)(=O)C>>CN(C1CCN(CC1)C(=O)O[C@H](C)C1=CC=CC=C1)CC=1C=NC(=CC1)C1=CC=C(C=C1)S(=O)(=O)C | 5 |
[N:1]1([C:13]([O:15][CH2:16][C:17]2[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=2)=[O:14])[CH2:7][CH2:6][CH2:5][CH:4]([C:8]([O:10]CC)=[O:9])[CH2:3][CH2:2]1.[Li+].[OH-]>C1COCC1.O>[CH2:16]([O:15][C:13]([N:1]1[CH2:7][CH2:6][CH2:5][CH:4]([C:8]([OH:10])=[O:9])[CH2:3][CH2:2]1)=[O:14])[C:17]1[CH:18]=[CH:19][CH:20]=[CH:21][CH:22]=1 | 1 |
ICCC=1C=C(CC2CC(=CC2=O)OCC(C)C)C=CC1>N(C)(C)C=O.[N-]=[N+]=[N-].[Na+]>N(=[N+]=[N-])CCC=1C=C(CC2CC(=CC2=O)OCC(C)C)C=CC1 | 3 |
C(C)(C)(C)OC(=O)C=1SC=C(C1)C>CO[H].[OH-].[K+]>CC=1C=C(SC1)C(=O)O | 3 |
[C:1]([NH:11][C@H:12]([C:15]([NH:17][CH2:18][C:19]([OH:21])=[O:20])=[O:16])[CH2:13][NH2:14])([O:3][CH2:4][C:5]1[CH:10]=[CH:9][CH:8]=[CH:7][CH:6]=1)=[O:2].[O-:22][C:23]#[N:24].[K+].ClC(Cl)(Cl)C(O)=O>C1COCC1>[C:1]([NH:11][C@H:12]([C:15]([NH:17][CH2:18][C:19]([OH:21])=[O:20])=[O:16])[CH2:13][NH:14][C:23]([NH2:24])=[O:22])... | 2 |
S1C=NC=2CCNCCC21.COC1=CC2=C(NC(N(CC2)C2CCN(CC2)C2=NC=CC(=C2)C(=O)O)=O)C=C1>>COC1=CC2=C(NC(N(CC2)C2CCN(CC2)C2=NC=NC(=C2)C(=O)N2CCC3=C(CC2)SC=N3)=O)C=C1 | 5 |
CC1=C(C(=O)OCC)C=CC=N1>C1CCCO1.[H-].[Al+3].[Li+].[H-].[H-].[H-]>CC1=NC=CC=C1CO | 3 |
FC(C=1C=C(C=CC1)O)(F)F.ClC(=CC=O)Cl.C(C)(=O)[O-].FC(C1=CC=C(C(=[NH2+])N)C=C1)(F)F>CC#N.C([O-])([O-])=O.[Na+].[Na+]>FC(C=1C=C(OC2=NC(=NC=C2)C2=CC=C(C=C2)C(F)(F)F)C=CC1)(F)F | 3 |
BrC=1C=C(C=C2C(N(C(=NC12)NC[C@H](C)O)C([2H])([2H])C=1C=NN(C1)C)=O)S(=O)(=O)NC1(CC1)C>ClCCl.CCN(CC)CC.CS(=O)(=O)Cl>BrC=1C=C(C=C2C(N(C=3N(C12)[C@@H](CN3)C)C([2H])([2H])C=3C=NN(C3)C)=O)S(=O)(=O)NC3(CC3)C | 3 |
C(#N)C(C(=O)OCC)=C(C(CC)CC)OC>C1CCCO1.N>N\C(=C(/C(=O)OCC)\C#N)\C(CC)CC | 3 |
[BH4-].[Na+].[F:3][C:4]([F:18])([C:10]1[CH:15]=[CH:14][CH:13]=[C:12]([O:16][CH3:17])[N:11]=1)[C:5]([O:7]CC)=[O:6].[Li+].[Cl-]>CO>[F:18][C:4]([C:10]1[N:11]=[C:12]([O:16][CH3:17])[CH:13]=[CH:14][CH:15]=1)([F:3])[CH:5]([OH:6])[OH:7] | 2 |
BrC1=CSC=2C1=NC(=CC2)C(=O)OC>O.C1CCCO1.CO[H].[OH-].[Li+]>BrC1=CSC=2C1=NC(=CC2)C(=O)O | 3 |
C1(\C=C/C(=O)O1)=O>[Na].[OH-].[Na+].S(=O)(=O)([O-])OOS(=O)(=O)[O-].[NH4+].[NH4+]>C(\C=C/C(=O)[O-])(=O)[O-].[Na+].[Na+] | 3 |
[C:1](O)(=[O:3])[CH3:2].C(N(CC)CC)C.[NH:12]1[CH2:17][CH2:16][CH:15]([CH2:18][O:19][C:20]2[CH:27]=[CH:26][C:25]([B:28]3[O:32][C:31]([CH3:34])([CH3:33])[C:30]([CH3:36])([CH3:35])[O:29]3)=[CH:24][C:21]=2[C:22]#[N:23])[CH2:14][CH2:13]1>ClCCl>[C:1]([N:12]1[CH2:17][CH2:16][CH:15]([CH2:18][O:19][C:20]2[CH:27]=[CH:26][C:25]([B... | 1 |
C(C)(=O)NC=1C(=CC(=C(C1)S(=O)(=O)Cl)CC)CC>[Fe].CCO[H].Cl>S(SC=1C=C(C(=CC1CC)CC)NC(C)=O)C=1C=C(C(=CC1CC)CC)NC(C)=O | 3 |
NC1CCN(CC1)C[C@@H]1CN2C=3C1=C(C=NC3C=CC2=O)F.C(C)(C)(C)OC(NC1C(CNCC1)O)=O.O=C1NC2=C(SC1)N=CC(=C2)C=O>CO[H].C(#N)[BH3-].[Na+]>Cl.FC=1C=NC=2C=CC(N3C2C1[C@@H](C3)CN3CCC(CC3)NCC3=CC1=C(SCC(N1)=O)N=C3)=O | 3 |
ClC=1C=C(C(=O)Cl)C=CC1F.Cl.FC1(CCNCC1)C(=O)O>ClCCl.CCN(CC)CC>ClC=1C=C(C=CC1F)C(=O)N1CCC(CC1)(C(=O)OCC)F | 3 |
C(C)(C)(C)OC(=O)NC(C(=O)O)C(C)(C)C>C1CCCO1.N.CN1CCOCC1.C(C(C)C)OC(=O)Cl>NC(=O)C(C(C)(C)C)NC(OC(C)(C)C)=O | 3 |
OCC=1N=C2N(C=C(N=C2N2CCOCC2)C2=CC(=CC=C2)OC)C1CCO>ClCCl.CCN(CC)CC.CS(=O)(=O)Cl>CS(=O)(=O)OCCC1=C(N=C2N1C=C(N=C2N2CCOCC2)C2=CC(=CC=C2)OC)CCl | 3 |
Cl[C:2]1[N:3]=[C:4]([N:13]2[CH2:18][CH2:17][O:16][CH2:15][CH2:14]2)[C:5]2[S:10][C:9]([CH:11]=O)=[CH:8][C:6]=2[N:7]=1.[NH:19]1[CH2:24][CH2:23][CH:22]([CH2:25][CH2:26][OH:27])[CH2:21][CH2:20]1.[N:28]1[CH:33]=[CH:32][CH:31]=[C:30](B(O)O)[CH:29]=1>>[O:16]1[CH2:17][CH2:18][N:13]([C:4]2[C:5]3[S:10][C:9]([CH2:11][N:19]4[CH2:2... | 1 |
N(=[N+]=[N-])[C@H](CO[Si](C)(C)C(C)(C)C)C=1C=NC(=NC1)OC>>[Si](C)(C)(C(C)(C)C)OC[C@@H](N)C=1C=NC(=NC1)OC | 5 |
[CH3:1][S:2][C:3]1[CH:8]=[CH:7][C:6]([C:9]2[N:10]=[C:11]([CH:14]3[CH2:19][CH2:18][N:17]([C:20]([O:22][C:23]([CH3:26])([CH3:25])[CH3:24])=[O:21])[CH2:16][CH2:15]3)[O:12][CH:13]=2)=[CH:5][CH:4]=1.[Br:27]N1C(=O)CCC1=O>ClCCl.C(Cl)(Cl)Cl>[Br:27][C:13]1[O:12][C:11]([CH:14]2[CH2:15][CH2:16][N:17]([C:20]([O:22][C:23]([CH3:26])... | 1 |
[CH3:1][C:2]1([CH3:27])[C:10]2[C:5](=[CH:6][CH:7]=[C:8]([N:11](C(OC(C)(C)C)=O)[NH:12]C(OC(C)(C)C)=O)[CH:9]=2)[CH2:4][CH2:3]1.FC(F)(F)C(O)=O.[C:35]([O:41]CC)(=O)[CH2:36][C:37]([CH3:39])=O>C(O)(=O)C>[CH3:1][C:2]1([CH3:27])[C:10]2[C:5](=[CH:6][CH:7]=[C:8]([N:11]3[C:35](=[O:41])[CH2:36][C:37]([CH3:39])=[N:12]3)[CH:9]=2)[CH... | 1 |
[N:1]1([CH2:6][CH2:7][NH:8][C:9]2[N:14]=[C:13]([C@@H:15]([NH:25][C:26](=[O:44])[CH2:27][N:28]3[C:36]4[C:35]([F:38])([F:37])[CH2:34][CH2:33][C:32]([F:40])([F:39])[C:31]=4[C:30]([CH:41]([F:43])[F:42])=[N:29]3)[CH2:16][C:17]3[CH:22]=[C:21]([F:23])[CH:20]=[C:19]([F:24])[CH:18]=3)[C:12]([C:45]3[CH:46]=[CH:47][C:48]([F:54])=... | 1 |
[Br:1][C:2]1[C:3](Cl)=[N:4][CH:5]=[C:6]([F:9])[C:7]=1[CH3:8].CN([CH:14]=[O:15])C.C[O-].[Na+]>O>[Br:1][C:2]1[C:3]([O:15][CH3:14])=[N:4][CH:5]=[C:6]([F:9])[C:7]=1[CH3:8] | 1 |
BrC=1C=CC(=C(O[C@H](CN2N=NN=C2)CO[Si](C)(C)C(C)(C)C)C1)F>C1CCCO1.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC>BrC=1C=CC(=C(O[C@@H](CO)CN2N=NN=C2)C1)F | 3 |
C(CO)O.BrC1=C(C=CC(=C1)F)C=1N(C(=NN1)C(C)(OC1=C(C#N)C=C(C=C1)Cl)C)C>[OH-].[Na+]>BrC1=C(C=CC(=C1)OCCO)C=1N(C(=NN1)C(C)(OC1=C(C(=O)O)C=C(C=C1)Cl)C)C | 3 |
[Si](C)(C)(C(C)(C)C)OC1C=C(CCC1(C)C)C1=NN(C=C1CN(CCN(C(OC(C)(C)C)=O)C)C)C1OCCCC1>CCO[H].[HH].[Pd]>[Si](C)(C)(C(C)(C)C)OC1CC(CCC1(C)C)C1=NN(C=C1CN(CCN(C(OC(C)(C)C)=O)C)C)C1OCCCC1 | 3 |
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