Datasets:
Derify
/
ReactionSmiles

Dataset card Data Studio Files
xet
 Community
1
smiles
stringlengths
15
6.12k
source_id
int64
1
5
C(C1=CC=CC=C1)Br.Cl.COC([C@@H](N)C)=O>N(C)(C)C=O.O.C([O-])([O-])=O.[K+].[K+]>C(C1=CC=CC=C1)N(C(C(=O)OCC)C)CC1=CC=CC=C1
3
C(C1=CC=CC=C1)OC=1C(=NC(=NC1)C)O>CO[H].[HH].[Pd]>OC=1C(NC(=NC1)C)=O
3
C(O[C:6]([N:8]1[CH2:13][CH2:12][O:11][CH:10]([C:14]([OH:16])=[O:15])[CH2:9]1)=O)(C)(C)C.C(O)(C(F)(F)F)=O.C(Cl)Cl.[O:27]1C[CH:28]1[C:30]1[CH:35]=[CH:34][C:33]([C:36]2[N:40]=[C:39]([C:41]3[O:45][N:44]=[C:43]([C:46]4[CH:51]=[CH:50][CH:49]=[CH:48][CH:47]=4)[C:42]=3[C:52]([F:55])([F:54])[F:53])[O:38][N:37]=2)=[CH:32][CH:31]...
1
Cl[C:2]1[CH:7]=[CH:6][C:5]([N+:8]([O-:10])=[O:9])=[CH:4][N:3]=1.[CH2:11]([C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][C:14]=1[OH:19])[CH3:12].C([O-])([O-])=O.[K+].[K+]>CN(C)C=O>[CH2:11]([C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][C:14]=1[O:19][C:2]1[CH:7]=[CH:6][C:5]([N+:8]([O-:10])=[O:9])=[CH:4][N:3]=1)[CH3:12]
1
BrC1=CC=C(C=C1)C(=O)NC1=C(N=C(O1)C)C(=O)OCC>C1CCCO1>BrC1=CC=C(C=C1)C(=O)NC1=C(N=C(O1)C)C(=O)O
3
FC=1C=C(C#N)C=CC1F.N1C[C@@H](CCC1)NC1=NC(=NC=C1)C1=CN=C2N1C=C(C=C2)C#N>>C(#N)C1=CC(=C(C=C1)N1C[C@@H](CCC1)NC1=NC(=NC=C1)C1=CN=C2N1C=C(C=C2)C#N)F
5
[N:1]1([CH:6]=[N:7][C:8]2[CH:13]=[CH:12][N:11]=[CH:10][C:9]=2[OH:14])[CH2:5][CH2:4][CH2:3][CH2:2]1.C(N(CC)CC)C.[CH3:22][N:23]([CH3:27])[C:24](Cl)=[O:25]>O1CCCC1>[CH3:22][N:23]([CH3:27])[C:24]([O:14][C:9]1[CH:10]=[N:11][CH:12]=[CH:13][C:8]=1[N:7]=[CH:6][N:1]1[CH2:5][CH2:4][CH2:3][CH2:2]1)=[O:25]
1
S(Cl)(Cl)=O.[Cl:5][C:6]1[N:14]=[C:13]([O:15][CH2:16][C:17]([F:20])([F:19])[F:18])[CH:12]=[CH:11][C:7]=1[C:8]([OH:10])=[O:9].Cl[C:22]1C=CC(C(O)=O)=C(OCC(F)(F)F)N=1.FC(F)(F)COC1N=C(OCC(F)(F)F)C=CC=1C(O)=O>CO>[Cl:5][C:6]1[N:14]=[C:13]([O:15][CH2:16][C:17]([F:20])([F:18])[F:19])[CH:12]=[CH:11][C:7]=1[C:8]([O:10][CH3:22])=[...
1
C(C(=O)OCC)(=O)OCC.C(C1=CC=CC=C1)N1CCN(CC1)C=1C=C(C=CC1)NC(C(C)(C)C)=O>C1CCCO1.C(CCC)[Li].CN(CCN(C)C)C>C(C)OC(C(=O)C1=C(C=CC=C1NC(C(C)(C)C)=O)N1CCN(CC1)CC1=CC=CC=C1)=O
3
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]([OH:10])[CH3:9])=[CH:4][CH:3]=1.CC(C1C=CC(Br)=CC=1)=O.BrC1C=CC([C@H](O)C)=CC=1>>[Br:1][C:2]1[CH:7]=[CH:6][C:5]([C@@H:8]([OH:10])[CH3:9])=[CH:4][CH:3]=1
1
ClC=1N=CN(C1C(=O)OCC)C1=C(C=C(C=C1)F)Cl>C1CCCO1.CO[H].[OH-].[Na+]>ClC=1N=CN(C1C(=O)O)C1=C(C=C(C=C1)F)Cl
3
C(=O)(OC(C)(C)C)N1CCNCC1.BrC1=C(C(=CC=C1)C)Cl>O1CCOCC1.CC(C)(C)[O-].[Na+].Nc1ccccc1-c2ccccc2[Pd]Cl.CC(C)Oc3cccc(OC(C)C)c3-c4ccccc4P(C5CCCCC5)C6CCCCC6>ClC1=C(C=CC=C1C)N1CCN(CC1)C(=O)OC(C)(C)C
3
N[C@H](COC=1C=C(C=NC1)C=1C=C2C3=C(N=CC2=C(N1)N)C=C(C(=C3)OC)OC)CC3=CC=C(C=C3)OCC3=CC=CC=C3>C1CCCO1.CCO[H].Cl.[HH].[Pd]>N[C@@H](CC1=CC=C(C=C1)O)COC=1C=NC=C(C1)C=1C=C2C3=C(N=CC2=C(N1)N)C=C(C(=C3)OC)OC
3
[O:1]=[C:2]1[NH:11][C:10]2[N:9]=[C:8]([O:12][CH2:13][CH2:14][CH2:15][CH:16]=O)[CH:7]=[CH:6][C:5]=2[CH:4]=[CH:3]1.[CH2:18]1[C:27]2[C:22](=[CH:23][CH:24]=[CH:25][CH:26]=2)[CH2:21][CH2:20][NH:19]1.C(O)(=O)C.C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+]>ClCCl.O>[CH2:18]1[C:27]2[C:22](=[CH:23][CH:24]=[CH:25][CH:26]=2)[CH2:21][CH2:20...
2
[CH3:1][O:2][C:3]1[C:4]([N+:11]([O-:13])=[O:12])=[C:5]([CH:8]=[CH:9][CH:10]=1)[CH:6]=O.[OH-].[OH-].[Na+].Cl.[N+:18]([CH3:21])([O-:20])=[O:19]>O.CO>[CH3:1][O:2][C:3]1[C:4]([N+:11]([O-:13])=[O:12])=[C:5]([CH:8]=[CH:9][CH:10]=1)[CH:6]=[CH:21][N+:18]([O-:20])=[O:19]
1
OC=1C=C(C=O)C=CC1.ClC1=CC(=C(C#N)C=C1)F>>ClC1=CC(=C(C#N)C=C1)OC1=CC(=CC=C1)C=O
5
[Br:1][C:2]1[CH:3]=[C:4](/[CH:9]=[CH:10]/[CH2:11][O:12][C:13]2[CH:18]=[CH:17][C:16]([CH2:19][C@H:20]([O:26][CH2:27][CH3:28])[C:21]([O:23]CC)=[O:22])=[CH:15][CH:14]=2)[CH:5]=[C:6]([Br:8])[CH:7]=1.[OH-].[Na+]>>[Br:1][C:2]1[CH:3]=[C:4](/[CH:9]=[CH:10]/[CH2:11][O:12][C:13]2[CH:18]=[CH:17][C:16]([CH2:19][C@H:20]([O:26][CH2:...
1
N1C=CC=CC=1.[CH:7]1([C:12](Cl)=O)[CH2:11][CH2:10][CH2:9][CH2:8]1.C(OC([N:22]1[CH2:28][CH2:27][CH2:26][N:25]([C:29]2[CH:34]=[CH:33][C:32]([NH2:35])=[C:31]([C:36](=[O:46])[NH:37][CH2:38][C:39](=[O:45])[NH:40]C(C)(C)C)[CH:30]=2)[CH2:24][CH2:23]1)=O)(C)(C)C.C(N(CC)CC)C.C[Si](Cl)(C)C>C1COCC1.CCOC(C)=O>[CH:7]1([C:12]2[N:37](...
1
FC1=CC=C(C=C1)S(=O)(=O)NC1=CC=C(C(=C1C(=O)O)C)C=C>>OC(CO)C=1C(=C(C(=O)O)C(=CC1)NS(=O)(=O)C1=CC=C(C=C1)F)C
5
[Cl:1][C:2]1[N:10]=[CH:9][CH:8]=[CH:7][C:3]=1[C:4]([OH:6])=[O:5].[CH2:11](O)[CH3:12].S(=O)(=O)(O)O>C1(C)C=CC=CC=1>[Cl:1][C:2]1[N:10]=[CH:9][CH:8]=[CH:7][C:3]=1[C:4]([O:6][CH2:11][CH3:12])=[O:5]
1
BrC1=C(N=NC(=C1)Cl)N.CC1(OB(OC1(C)C)C=1C=NN(C1)CCC1CCN(CC1)C(=O)OC(C)(C)C)C>ClCCl.O1CCOCC1.C(=O)([O-])[O-].[Cs+].[Cs+].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]>NC=1N=NC(=CC1C=1C=NN(C1)CCC1CCN(CC1)C(=O)OC(C)(C)C)Cl
3
C(C)C1C(CC(C1)=O)C(=O)OCC>>C(C)C1C(CC(C1)O)C(=O)OCC.C(C)[C@H]1[C@H](C[C@H](C1)O)C(=O)OCC.C(C)[C@@H]1[C@@H](C[C@@H](C1)O)C(=O)OCC
5
COC=1C=C2C(=NC=NC2=CC1OC)OC=1C=C(N)C=CC1.FC(C)(F)C1=NN(C(=C1)NC(OC1=CC=CC=C1)=O)C1=CC=CC=C1>C1CCCO1.C1(=CC=NC=C1)N(C)C>FC(C)(F)C1=NN(C(=C1)NC(=O)NC1=CC(=CC=C1)OC1=NC=NC2=CC(=C(C=C12)OC)OC)C1=CC=CC=C1
3
ClCC(=O)NC(C(=O)OCC)(CC1=CC=CC=C1)C>CCO[H].N>C(C1=CC=CC=C1)C1(C(NCC(N1)=O)=O)C
3
ClC1=C(C=CC=C1)CC(N)=NO.C(C)(C)(C)OC(=O)N1CCC(CC1)C1=CC(NC=2N1N=CC2C(=O)O)=O>N(C)(C)C=O.C(=O)(C=1NC=CN1)C=1NC=CN1.C(C)(C)N(C(C)C)CC>ClC1=C(CC2=NOC(=N2)C=2C=NN3C2NC(C=C3C3CCN(CC3)C(=O)OC(C)(C)C)=O)C=CC=C1
3
[C:1]1([S:7]([N:10]2[C:14]3=[N:15][CH:16]=[CH:17][CH:18]=[C:13]3[CH:12]=[C:11]2[CH:19]([OH:26])[CH2:20][CH:21]2[CH2:25][CH2:24][CH2:23][CH2:22]2)(=[O:9])=[O:8])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.CC(OI1(OC(C)=O)(OC(C)=O)OC(=O)C2C=CC=CC1=2)=O.C(Cl)Cl>>[C:1]1([S:7]([N:10]2[C:14]3=[N:15][CH:16]=[CH:17][CH:18]=[C:13]3[CH:12...
1
N1[CH:6]=[CH:5][CH:4]=[C:3]([CH2:7][C:8]2[C:17](=[O:18])[C:16]3[C:11]4=[C:12]([C:19]5[CH:20]=[CH:21][CH:22]=[CH:23][C:24]=5[N:10]4[CH:9]=2)[CH:13]=[CH:14][N:15]=3)[CH:2]=1.[CH:25](=O)C1C=CC=CC=1>>[CH2:7]([C:8]1[C:17](=[O:18])[C:16]2[C:11]3=[C:12]([C:19]4[CH:20]=[CH:21][CH:22]=[CH:23][C:24]=4[N:10]3[CH:9]=1)[CH:13]=[CH:...
1
[Cl:1][C:2]1[CH:3]=[C:4](B(O)O)[CH:5]=[CH:6][CH:7]=1.Br[C:12]1[CH:13]=[C:14]([C:18]2([C:28]3[CH:33]=[CH:32][N:31]=[C:30]([C:34]([F:37])([F:36])[F:35])[CH:29]=3)[C:26]3[C:21](=[N:22][CH:23]=[CH:24][CH:25]=3)[C:20]([NH2:27])=[N:19]2)[CH:15]=[CH:16][CH:17]=1.C(=O)([O-])[O-].[Cs+].[Cs+]>COCCOC.CCO.O.C1C=CC(P(C2C=CC=CC=2)[C...
2
NC=1SC=C(N1)C.ClC1=NC=CC(=C1)SC1=NC=CC=C1>[Pd].[Pd].O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.C1(=CC=CC=C1)P(C1=CC=CC=2C(C3=CC=CC(=C3OC12)P(C1=CC=CC=C1)C1=CC=CC=C1)(C)C)C1=CC=CC=C1.P(=O)([O-])([O-])[O-].[K+].[K+].[K+]>Cl.CC=1N=C(SC1)NC1=NC=CC(=C1)SC1=NC=CC=C1
3
CS(=O)(=O)CCN.OC(C(=O)O)C1=CC=C(C=C1)C1=NOC(=N1)C1=C(C(=NO1)C1=CC=CC=C1)C(F)(F)F>N(C)(C)C=O.CN1CCOCC1.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>OC(C(=O)NCCS(=O)(=O)C)C1=CC=C(C=C1)C1=NOC(=N1)C1=C(C(=NO1)C1=CC=CC=C1)C(F)(F)F
3
[Cl:1][C:2]1[CH:7]=[CH:6][N:5]=[C:4]([C:8](OCC)=[O:9])[CH:3]=1.C(O)C.[BH4-].[Na+].Cl>O>[Cl:1][C:2]1[CH:7]=[CH:6][N:5]=[C:4]([CH2:8][OH:9])[CH:3]=1
2
N1=CC=C(C=C1)C(=NN)C1=CC=C(C#N)C=C1>C(Cl)(Cl)(Cl)[H].[O-2].[O-2].[Mn+4]>[N+](=[N-])=C(C1=CC=C(C#N)C=C1)C1=CC=NC=C1
3
ClC1=CC(=NC=C1)CNC=1OC2=C(N1)C=C(C=C2OC)C(=O)O.CC1(CN[C@@H](CO1)C)CCO>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>ClC1=CC(=NC=C1)CNC=1OC2=C(N1)C=C(C=C2OC)C(=O)N2CC(OC[C@H]2C)(C)CCO
3
[CH2:1]([O:8][C:9]1[CH:38]=[CH:37][C:12]([O:13][C:14]2[CH:22]=[CH:21][C:17]([C:18](Cl)=[O:19])=[CH:16][C:15]=2[NH:23][C:24]2[C:25]3[CH:33]=[CH:32][C:31]([CH:34]([CH3:36])[CH3:35])=[N:30][C:26]=3[N:27]=[CH:28][N:29]=2)=[CH:11][CH:10]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C(N(CC)C(C)C)(C)C.[F:48][C:49]1[CH:54]=[CH:5...
1
C(=O)C1=CC=C(C=C1)B(O)O.CNC1CCC(CC1)O>ClCCl.C(C)(=O)O.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+].C(O)([O-])=O.[Na+]>OC1CCC(CC1)N(C)CC1=CC=C(C=C1)B(O)O
3
[C:1]([S:9][CH2:10][C:11]([OH:13])=[O:12])(=[S:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.S(Cl)(Cl)=O.[CH3:18]O>>[CH3:18][O:12][C:11](=[O:13])[CH2:10][S:9][C:1](=[S:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1
1
[ClH:1].NC(=O)[C@@H](N[C:12](=[O:32])[CH2:13][C:14]([NH:16][C:17]1[CH:22]=[CH:21][C:20]([O:23][C:24]2[CH:29]=[CH:28][N:27]=[C:26]([NH2:30])[CH:25]=2)=[C:19]([F:31])[CH:18]=1)=[O:15])C1C=CC=CC=1.Cl.[NH2:35][C@H:36]([C:41]1[CH:46]=[CH:45][CH:44]=[CH:43][CH:42]=1)[C:37]([O:39][CH3:40])=[O:38]>>[ClH:1].[NH2:30][C:26]1[CH:2...
1
[CH3:1][C:2]([O:4][C@H:5]1[C:14]2[C@@:15]3([CH3:30])[C@@H:26]([CH2:27][O:28][CH3:29])[O:25][C:23](=[O:24])[C:17]4=[CH:18][O:19][C:20]([C:21](=[O:22])[C:13]=2[C@@H:8]2[CH2:9][CH2:10][C@H:11]([OH:12])[C@@:7]2([CH3:31])[CH2:6]1)=[C:16]34)=[O:3].[CH3:32][NH:33][CH:34]1[CH2:38][N:37]([CH3:39])[CH2:36][CH2:35]1>C(Cl)Cl>[C:2]...
1
C([O:8][C:9]1[CH:14]=[CH:13][C:12]([C:15]2[CH2:19][O:18][C:17](=[O:20])[C:16]=2[C:21]2[CH:26]=[CH:25][C:24]([O:27][CH3:28])=[CH:23][CH:22]=2)=[CH:11][CH:10]=1)C1C=CC=CC=1>CO.[OH-].[OH-].[Pd+2]>[OH:8][C:9]1[CH:10]=[CH:11][C:12]([C:15]2[CH2:19][O:18][C:17](=[O:20])[C:16]=2[C:21]2[CH:26]=[CH:25][C:24]([O:27][CH3:28])=[CH:...
1
C[O:2][C:3]([C:5]1[CH:10]=[C:9]([Cl:11])[CH:8]=[C:7]([O:12][CH3:13])[N:6]=1)=[O:4].[OH-].[Na+].Cl>CO>[Cl:11][C:9]1[CH:8]=[C:7]([O:12][CH3:13])[N:6]=[C:5]([C:3]([OH:4])=[O:2])[CH:10]=1
1
[Na].[NH:2]1[CH:6]=[N:5][CH:4]=[N:3]1.[CH3:7][O:8][CH2:9][CH2:10][O:11][CH2:12][C:13]1[CH:18]=[CH:17][C:16]([C@H:19]2[C@H:24]([O:25][CH2:26][CH2:27]OS(C3C=CC(C)=CC=3)(=O)=O)[CH2:23][N:22]([C:39]([O:41][CH2:42][C:43]3[CH:48]=[CH:47][CH:46]=[CH:45][CH:44]=3)=[O:40])[CH2:21][C@@H:20]2[O:49][CH2:50][C:51]2[CH:52]=[CH:53][C...
2
ClC1=NC(=C2C(=N1)NN=C2)N2CC1CCC(C2)O1.O1CCCC12CCC(CC2)O>C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.N(=NC(=O)OC(C)C)C(=O)OC(C)C>ClC1=NC(=C2C(=N1)N(N=C2)C2CCC1(CCCO1)CC2)N2CC1CCC(C2)O1
3
[Si]([O:18][CH2:19][C:20]1[CH:21]=[C:22]([O:36][CH:37]([F:39])[F:38])[C:23](=[O:35])[N:24]([CH2:26][C:27]2[CH:32]=[CH:31][C:30]([O:33][CH3:34])=[CH:29][CH:28]=2)[N:25]=1)(C(C)(C)C)(C1C=CC=CC=1)C1C=CC=CC=1.CCCC[N+](CCCC)(CCCC)CCCC.[F-]>C1COCC1>[F:39][CH:37]([F:38])[O:36][C:22]1[C:23](=[O:35])[N:24]([CH2:26][C:27]2[CH:32...
2
ClC1=CC(=C(C=C1)N1CCC(=CC1)C1=C(C(=NN1C)C)[N+](=O)[O-])F>O.[Fe].CCO[H].[Cl-].[NH4+]>ClC1=CC(=C(C=C1)N1CCC(=CC1)C1=C(C(=NN1C)C)N)F
3
O=[C:2]([CH2:6][CH3:7])[CH2:3][C:4]#[N:5].[NH:8]([C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][N:11]=1)[NH2:9].C(O)(=O)C>C(O)C>[CH2:6]([C:2]1[CH:3]=[C:4]([NH2:5])[N:8]([C:10]2[CH:15]=[CH:14][CH:13]=[CH:12][N:11]=2)[N:9]=1)[CH3:7]
1
[OH2:1].[OH2:2].[O-:3][S:4]([O-:7])(=[O:6])=[O:5].[Ca+2:8].S(=O)(=O)(O)[OH:10]>>[O:1]=[O+:2][O-:3].[OH2:10].[OH2:3].[O-:6][S:4]([O-:7])(=[O:5])=[O:3].[Ca+2:8]
1
[CH3:1][N:2]1[CH:6]=[CH:5][C:4]([C:7]2[N:12]=[C:11]([NH2:13])[C:10]([N+:14]([O-])=O)=[CH:9][CH:8]=2)=[N:3]1.CCO>CCOC(C)=O.[Pd]>[CH3:1][N:2]1[CH:6]=[CH:5][C:4]([C:7]2[N:12]=[C:11]([NH2:13])[C:10]([NH2:14])=[CH:9][CH:8]=2)=[N:3]1
2
BrC=1C=C2C=CC(=CC2=CC1)OCCCO.C(C)(C)(C)OC(=O)N1C(=CC=C1)[Sn](C)(C)C>>OCCCOC=1C=C2C=CC=C(C2=CC1)C=1N(C=CC1)C(=O)OC(C)(C)C
5
[Br:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH:11]([OH:14])[CH2:12][OH:13]>COC(OC)(C)C>[CH2-:10][C:11]([CH3:12])=[O:14].[Br:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH:11]([OH:14])[CH2:12][OH:13]
1
[CH:1]1([C:5]2[C:14]3[C:9](=[CH:10][CH:11]=[C:12]([O:15][CH3:16])[CH:13]=3)[CH2:8][CH2:7][N:6]=2)[CH2:4][CH2:3][CH2:2]1.Cl[C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][N:19]=1>O1CCCC1>[CH3:16][O:15][C:12]1[CH:13]=[C:14]2[C:9]([CH2:8][CH2:7][N:6]=[C:5]2[C:1]2([C:18]3[CH:23]=[CH:22][CH:21]=[CH:20][N:19]=3)[CH2:2][CH2:3][CH2:4]2)...
1
N[C:2]1[S:3][C:4]([CH2:7][N:8]2[CH2:12][CH2:11][CH2:10][C:9]2=[O:13])=[CH:5][N:6]=1.C(ON=O)CC(C)C>C1COCC1>[S:3]1[C:4]([CH2:7][N:8]2[CH2:12][CH2:11][CH2:10][C:9]2=[O:13])=[CH:5][N:6]=[CH:2]1
1
BrC1=C(C(=O)O)C=C(C=C1)OC>>BrC1=C(C(=O)OCC)C=C(C=C1)OC
5
[ClH:1].CC(C)(C)C(O[NH:7][C@@H:8]1[C:14](=[O:15])[NH:13][C:12]2[C:16]([F:20])=[CH:17][CH:18]=[CH:19][C:11]=2[S:10][CH2:9]1)=O>O1CCOCC1>[ClH:1].[NH2:7][C@@H:8]1[C:14](=[O:15])[NH:13][C:12]2[C:16]([F:20])=[CH:17][CH:18]=[CH:19][C:11]=2[S:10][CH2:9]1
1
[Cl:1][C:2]1[CH:3]=[C:4]([CH:7]=[CH:8][CH:9]=1)[CH2:5][NH2:6].C1(CN)CCCCC1.[O:18]=[C:19]1[C:27]2([CH2:31][O:30][C:29]3[CH:32]=[C:33]4[C:37](=[CH:38][C:28]2=3)[CH2:36][CH2:35][O:34]4)[C:26]2[C:21](=[CH:22][CH:23]=[CH:24][CH:25]=2)[N:20]1[CH2:39][C:40]1[CH:48]=[CH:47][CH:46]=[CH:45][C:41]=1[C:42](O)=[O:43].O=C1C2(COC3C=C...
1
O=C1N(C(C2=CC=CC=C12)=O)CCS(=O)(=O)NC(C)C>>NCCS(=O)(=O)NC(C)C
5
C(#N)C(CCO[Si](C)(C)C(C)(C)C)CCO[Si](C)(C)C(C)(C)C>C1(=CC=CC=C1)C.CC(C)C[AlH]CC(C)C>C(=O)C(CCO[Si](C)(C)C(C)(C)C)CCO[Si](C)(C)C(C)(C)C
3
ClC(=O)OC1=CC=C(C=C1)[N+](=O)[O-].COC1=NC2=CC(=CC(=C2N=C1)C=1SC2=C(N1)C=CC1=C2C[C@H](O1)CN)C>ClCCl.c1ccncc1.Cl>COC1=NC2=CC(=CC(=C2N=C1)C=1SC2=C(N1)C=CC1=C2C[C@H](O1)CNC(OC1=CC=C(C=C1)[N+](=O)[O-])=O)C
3
C([O:3][C:4]([C:6]1([C:15](=[O:27])[NH:16][C:17]2[C:26]3[CH2:25][CH2:24][CH2:23][CH2:22][C:21]=3[CH:20]=[CH:19][CH:18]=2)[CH2:14][C:13]2[C:8](=[CH:9][CH:10]=[CH:11][CH:12]=2)[CH2:7]1)=[O:5])C.O1CCOCC1.CO.[Li+].[OH-]>CO.C(Cl)Cl.O>[C:17]1([NH:16][C:15]([C:6]2([C:4]([OH:5])=[O:3])[CH2:14][C:13]3[C:8](=[CH:9][CH:10]=[CH:11...
1
C([O:5][P:6]([O:12][CH2:13][CH2:14][CH2:15][CH3:16])[O:7][CH2:8][CH2:9][CH2:10][CH3:11])CCC.Cl[C:18]([O:20][CH3:21])=[O:19]>>[CH3:21][O:20][C:18]([P:6](=[O:5])([O:7][CH2:8][CH2:9][CH2:10][CH3:11])[O:12][CH2:13][CH2:14][CH2:15][CH3:16])=[O:19]
1
[C:1]([O:6][CH2:7][CH2:8][O:9][C:10]([C:12]1[CH:13]=[C:14]([S:18](Cl)(=[O:20])=[O:19])[CH:15]=[CH:16][CH:17]=1)=[O:11])(=[O:5])[C:2]([CH3:4])=[CH2:3].[OH:22][N:23]=[C:24]([C:31]#[N:32])[C:25]1[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=1.C(N(CC)CC)C.O>C(Cl)Cl>[C:1]([O:6][CH2:7][CH2:8][O:9][C:10]([C:12]1[CH:13]=[C:14]([S:18](...
1
BrC=1C=CC2=C(C(=C(S2)CCCSC2=CC(=C(C=C2)OCC(=O)OCC)C)C)C1>>BrC=1C=CC2=C(C(=C(S2)CCCSC2=CC(=C(C=C2)OCC(=O)O)C)C)C1
5
C(C)(=O)Cl.C(C1=CC=CC=C1)OC=1C(=C(C(=NC1C)N=C(C1=CC=CC=C1)C1=CC=CC=C1)C)C>C1CCCO1.CO[H]>C(C1=CC=CC=C1)OC=1C(=C(C(=NC1C)N)C)C
3
N1CCS(CC1)(=O)=O.ClCC1=NC2=CC=CC=C2C(N1)=O>O1CCOCC1.C(C)(C)N(C(C)C)CC.P(=O)(Cl)(Cl)Cl>ClCC1=NC2=CC=CC=C2C(=N1)N1CCS(CC1)(=O)=O
3
C([O:8][C:9]1[CH:14]=[C:13]([O:15]CC2C=CC=CC=2)[C:12]([C:23]([CH3:25])=[CH2:24])=[CH:11][C:10]=1[C:26]([N:28]1[CH2:36][C:35]2[C:30](=[CH:31][CH:32]=[C:33]([N:37]3[CH2:42][CH2:41][N:40]([CH3:43])[CH2:39][CH2:38]3)[CH:34]=2)[CH2:29]1)=[O:27])C1C=CC=CC=1>CO.[Pd]>[OH:8][C:9]1[CH:14]=[C:13]([OH:15])[C:12]([CH:23]([CH3:24])[...
1
[Cl-].[Ce+3].[Cl-].[Cl-].C[Mg]Br.[CH2:8](OCC)C.[CH3:13][C@H:14]1[C:18](=[O:19])[CH2:17][CH2:16][N:15]1[C:20]([O:22][CH2:23][C:24]1[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=1)=[O:21].C(OCC)(=O)C>C1COCC1>[OH:19][C@@:18]1([CH3:8])[CH2:17][CH2:16][N:15]([C:20]([O:22][CH2:23][C:24]2[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=2)=[O:21...
1
C[C@@H]1N(C[C@H](N(C1)C1COC1)C)C=1C=CC(=NC1)NC=1C(N(C=C(C1)B1OC(C(O1)(C)C)(C)C)C)=O.ClC1=CC=NC(=C1C=O)N1C(C=2N(C=3CCCCC3C2F)CC1)=O>>C[C@@H]1N(C[C@H](N(C1)C1COC1)C)C=1C=CC(=NC1)NC1=CC(=CN(C1=O)C)C1=CC=NC(=C1C=O)N1C(C=2N(C=3CCCCC3C2F)CC1)=O
5
ClC=1N=C(NC1C(=O)O)C.NCC=1C(=C(C(=CC1)Br)OC=1C=C(C#N)C=C(C1)Cl)F>>BrC1=C(C(=C(C=C1)CNC(=O)C1=C(N=C(N1)C)Cl)F)OC1=CC(=CC(=C1)C#N)Cl
5
[OH:1][C:2]1[CH:11]=[C:10]2[C:5]([CH2:6][CH2:7][NH:8][C:9]2=[O:12])=[CH:4][CH:3]=1.[Br:13][CH2:14][CH2:15][CH2:16][CH2:17]Br.C([O-])([O-])=O.[K+].[K+]>CCO.O>[Br:13][CH2:14][CH2:15][CH2:16][CH2:17][O:1][C:2]1[CH:11]=[C:10]2[C:5]([CH2:6][CH2:7][NH:8][C:9]2=[O:12])=[CH:4][CH:3]=1
1
C(C1=CC=CC=C1)N(CCOC(=O)O[C@@H]1[C@H](O[C@H](C1)N1C(NC(C(=C1)C)=O)=O)CO[Si](C1=CC=CC=C1)(C1=CC=CC=C1)C(C)(C)C)CC1N(CCCC1)C(=O)OC(C)(C)C.O=S1(C2=C(C=C1CCl)C=CC=C2)=O>ClCCl.C(=O)(C(F)(F)F)O.C(C)(C)N(C(C)C)CC>C(C1=CC=CC=C1)N(CCOC(=O)O[C@@H]1[C@H](O[C@H](C1)N1C(NC(C(=C1)C)=O)=O)CO[Si](C1=CC=CC=C1)(C1=CC=CC=C1)C(C)(C)C)CC1N...
3
C(C)(C)(C)OC(=O)N1C(C2=CC=C(C=C2CC1)OC)C(=O)O.FC=1C=C(N)C=C(C1C(COC)(C)C)F>O.C1(=CC=NC=C1)N(C)C.C(C)(=O)OCC.C(C)(C)N(C(C)C)CC.CCCP1(=O)OP(=O)(OP(=O)(O1)CCC)CCC>FC=1C=C(C=C(C1C(COC)(C)C)F)NC(=O)C1N(CCC2=CC(=CC=C12)OC)C(=O)OC(C)(C)C
3
C(C1=CC=C(C=C1)OC)(=O)Cl.Cl.NCC1=C2C(N(C(C2=CC=C1)=O)C1C(NC(CC1)=O)=O)=O>C1CCCO1.CCN(CC)CC>O=C1NC(CCC1N1C(C2=CC=CC(=C2C1=O)CNC(C1=CC=C(C=C1)OC)=O)=O)=O
3
C1(=CC=CC=C1)N=C=O.NC=1SC=C(C1C(=O)N)C1=CC=C(C=C1)N>C1CCCO1.CO[H].CCN(CC)CC>NC=1SC=C(C1C(=O)N)C1=CC=C(C=C1)NC(=O)NC1=CC=CC=C1
3
COC1=CC=C(CN2C(C=3N(C=C2C)C(=NC3)C3CCOCC3)=O)C=C1>O.ClCCl.[OH-].[K+].B(Br)(Br)Br.C(O)([O-])=O.[Na+].OS(=O)(=O)[O-].[K+]>OC1=CC=C(CN2C(C=3N(C=C2C)C(=NC3)C3CCOCC3)=O)C=C1
3
C1(=CC=C(C=C1)N(C1=CC=CC=2C(C3=CC=CC=C3C12)(C)C)C1=CC=C(C=C1)C1=CC=CC=C1)C1=CC=CC=C1>>C1(=CC=C(C=C1)N(C1=CC=C(C=2C(C3=CC=CC=C3C12)(C)C)Br)C1=CC=C(C=C1)C1=CC=CC=C1)C1=CC=CC=C1
5
Cl[C:2]1[N:7]=[C:6]([NH2:8])[N:5]=[C:4]([NH:9][CH3:10])[CH:3]=1.[NH2:11][C:12]1[C:13]([CH3:21])=[C:14](B(O)O)[CH:15]=[CH:16][CH:17]=1.C(=O)([O-])[O-].[Na+].[Na+].O1CCOCC1>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=C...
2
C(=O)=O.C(CCCCCCCCC)OC1=C(C(=CC(=C1F)F)F)F>>C(CCCCCCCCC)OC1=C(C(=C(C(=O)O)C(=C1F)F)F)F
5
[C:1]1([CH:7]([C:12]2[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=2)[CH2:8][C:9]([OH:11])=O)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[C:18]([N:25]1[CH2:30][CH2:29][NH:28][CH2:27][CH2:26]1)([O:20][C:21]([CH3:24])([CH3:23])[CH3:22])=[O:19].C(Cl)CCl>C(Cl)Cl.CN(C1C=CN=CC=1)C>[C:21]([O:20][C:18]([N:25]1[CH2:30][CH2:29][N:28]([C:9](=[O:1...
1
C1(=CC=CC=C1)S(=O)(=O)N1N=CC2=CC(=C(C=C12)Br)[N+](=O)[O-]>O.C1CCCO1.[Fe].CCO[H].[Cl-].[NH4+]>C1(=CC=CC=C1)S(=O)(=O)N1N=CC2=CC(=C(C=C12)Br)N
3
OC(C(=O)NNC(=O)C=1SC(=C(N1)C(=O)N1CCC(CC1)C)C1=CC=C(C2=CC=CC=C12)S(=O)(=O)N[C@H](C(F)(F)F)C)(C)C>ClCCl.CCN(CC)CC.C1(=CC=C(C=C1)S(=O)(=O)Cl)C>OC(C)(C)C1=NN=C(O1)C=1SC(=C(N1)C(=O)N1CCC(CC1)C)C1=CC=C(C2=CC=CC=C12)S(=O)(=O)N[C@H](C(F)(F)F)C
3
C(C)OC(C1=CC=C(C=C1)NC(=O)N[C@@](C(C(C)C)CO)(C)C1=CC(=C(C=C1)CCC(C)(C)C)Cl)=O>ClCCl.CC1(N(C(CCC1)(C)C)[O])C.C(C)(=O)O[IH]C1=C(C=CC=C1)[IH]OC(C)=O>C(C)OC(C1=CC=C(C=C1)N1C(N[C@@](C(=C1)C(C)C)(C)C1=CC(=C(C=C1)CCC(C)(C)C)Cl)=O)=O
3
COC1=C(C(=O)N2CCN(CC2)C(=O)OC(C)(C)C)C=C(C(=C1)C)SC1=CN=C(S1)NC1=NC=CC=C1>ClCCl.C(=O)(C(F)(F)F)O>COC1=C(C=C(C(=C1)C)SC1=CN=C(S1)NC1=NC=CC=C1)C(=O)N1CCNCC1
3
S1C(=CC=C1)S(=O)(=O)Cl.NC=1C=C(C=C2C=C(NC12)C(=O)OCC)OC>c1ccncc1>COC=1C=C2C=C(NC2=C(C1)NS(=O)(=O)C=1SC=CC1)C(=O)OCC
3
[C:1]([O:5][C:6](=[O:30])[NH:7][CH2:8][C:9]1[N:10]([CH2:26][CH:27]([CH3:29])[CH3:28])[C:11](=[O:25])[C:12]2[C:17]([C:18]=1[O:19][CH2:20][CH2:21][CH2:22][CH3:23])=[CH:16][C:15](Br)=[CH:14][CH:13]=2)([CH3:4])([CH3:3])[CH3:2].[C:31]1(OB(O)O)[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=1.C(=O)([O-])[O-].[Na+].[Na+].C1(C)C=CC=CC=1...
1
C([O:3][C:4](=[O:20])[CH:5]([O:17][CH2:18][CH3:19])[CH2:6][C:7]1[C:8]([CH3:16])=[C:9]2[C:13](=[CH:14][CH:15]=1)[NH:12][CH:11]=[CH:10]2)C.Cl[CH2:22][C:23]1[N:24]=[C:25]([C:29]2[CH:34]=[C:33]([O:35][CH3:36])[CH:32]=[C:31]([O:37][CH3:38])[CH:30]=2)[O:26][C:27]=1[CH3:28]>>[CH3:38][O:37][C:31]1[CH:30]=[C:29]([C:25]2[O:26][C...
1
[CH:1]1([C:7]2([CH2:15][CH2:16][C:17]3[CH:22]=[CH:21][C:20]([OH:23])=[CH:19][CH:18]=3)[O:12][C:11](=[O:13])[CH:10]=[C:9]([OH:14])[CH2:8]2)[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.[C:24]([C:28]1[CH:33]=[C:32]([OH:34])[C:31]([CH3:35])=[CH:30][C:29]=1[S:36]S(C1C=CC(C)=CC=1)(=O)=O)([CH3:27])([CH3:26])[CH3:25].C([O-])([O-])=O.[...
1
ClS(=O)(=O)O.CC1CN2C(OC1)=CC=N2>O.C1CCCO1.C(C)(=O)OCC.N>CC1CN2C(OC1)=C(C=N2)S(=O)(=O)N
3
[Cl:1][C:2]1[CH:26]=[C:25]([Cl:27])[C:24]([O:28][CH3:29])=[CH:23][C:3]=1[NH:4][C:5]1[C:14]2[C:9](=[CH:10][C:11]([OH:22])=[CH:12][C:13]=2[O:15][CH:16]2[CH2:21][CH2:20][O:19][CH2:18][CH2:17]2)[N:8]=[CH:7][N:6]=1.[C:30]([O:34][C:35]([N:37]1[CH2:42][CH2:41][CH:40]([CH2:43]O)[CH2:39][CH2:38]1)=[O:36])([CH3:33])([CH3:32])[CH...
1
ClC1=C(N=C2C(=N1)N(C=C2)COCC[Si](C)(C)C)C(=O)OC>N(C)(C)C=O.[Cl-].[NH4+].IN1C(CCC1=O)=O.[O-]S(=O)(=S)[O-].[Na+].[Na+]>ClC1=C(N=C2C(=N1)N(C=C2I)COCC[Si](C)(C)C)C(=O)OC
3
[CH:1]([C:3]1[CH:4]=[C:5]2[C:9](=[CH:10][CH:11]=1)[NH:8][CH:7]=[CH:6]2)=O.[C:12]([O:16][C:17]([O:19]C(OC(C)(C)C)=O)=O)([CH3:15])([CH3:14])[CH3:13].[CH3:27][NH:28][CH3:29].C(O)(=O)C.C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+]>C(#N)C.CN(C1C=CN=CC=1)C>[CH3:27][N:28]([CH2:1][C:3]1[CH:4]=[C:5]2[C:9](=[CH:10][CH:11]=1)[N:8]([C:17](...
1
[F:1][C:2]([F:25])([C:15]([F:24])([F:23])[C:16]([F:22])([F:21])[C:17]([F:20])([F:19])[F:18])[C:3]([NH:5][C:6]1[CH:11]=[CH:10][C:9]([CH2:12][C:13]#[N:14])=[CH:8][CH:7]=1)=[O:4].[N-:26]=[N+:27]=[N-:28].[Na+].[Cl-].[NH4+].CN(C)C=O>O>[F:1][C:2]([F:25])([C:15]([F:23])([F:24])[C:16]([F:22])([F:21])[C:17]([F:20])([F:18])[F:19...
1
C(C)(C)(C)C=1OC2=C(N1)C=CC(=C2SC2CC(CCC2)=O)Cl>ClCCl.ClC=1C=C(C(=O)OO)C=CC1>C(C)(C)(C)C=1OC2=C(N1)C=CC(=C2S(=O)(=O)C2CC(CCC2)=O)Cl
3
[OH-].[Na+].[Br:3][C:4]1[C:5]([C:19]([O:21]C)=[O:20])=[C:6]2[N:11]([C:12]=1[C:13]1[CH:14]=[N:15][CH:16]=[CH:17][CH:18]=1)[CH2:10][CH2:9][CH2:8][CH2:7]2>CO>[Br:3][C:4]1[C:5]([C:19]([OH:21])=[O:20])=[C:6]2[N:11]([C:12]=1[C:13]1[CH:14]=[N:15][CH:16]=[CH:17][CH:18]=1)[CH2:10][CH2:9][CH2:8][CH2:7]2
1
BrC1=CC=CC(=N1)C(=O)OC.CC1=C(C(=CC=C1)C)CNC=1C=2N(C=C(C1)B1OC(C(O1)(C)C)(C)C)C(=C(N2)C)C>c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(=O)([O-])[O-].[Cs+].[Cs+]>CC1=C(C(=CC=C1)C)CNC=1C=2N(C=C(C1)C1=CC=CC(=N1)C(=O)OC)C(=C(N2)C)C
3
[Cl:1][C:2]1[CH:16]=[CH:15][CH:14]=[CH:13][C:3]=1[CH2:4][CH:5]1[CH2:10][CH2:9][CH:8]([CH2:11][OH:12])[CH2:7][CH2:6]1.[F:17][C:18]1[CH:25]=[CH:24][CH:23]=[C:22](F)[C:19]=1[C:20]#[N:21].CC(C)([O-])C.[K+]>CN(C)C=O>[Cl:1][C:2]1[CH:16]=[CH:15][CH:14]=[CH:13][C:3]=1[CH2:4][CH:5]1[CH2:6][CH2:7][CH:8]([CH2:11][O:12][C:22]2[CH:...
1
[NH:1]1[CH2:5][CH2:4][CH2:3][CH2:2]1.C(N(CC)C(C)C)(C)C.Cl[C:16](Cl)([O:18]C(=O)OC(Cl)(Cl)Cl)Cl.[Cl:27][C:28]1[CH:33]=[C:32]([N:34]2[CH:38]=[CH:37][CH:36]=[N:35]2)[CH:31]=[CH:30][C:29]=1[C:39]([N:41]1[C:47]2[CH:48]=[CH:49][CH:50]=[CH:51][C:46]=2[CH2:45][NH:44][C@H:43]([CH3:52])[CH2:42]1)=[O:40]>ClCCl.O>[Cl:27][C:28]1[CH...
2
ClC1=NC=NC(=C1C=O)OC>O.CCN(CC)CC.CCO[H].[HH].[Pd]>COC1=NC=NC=C1C=O
3
[N+](=O)([O-])C1=CC=C(C(C=O)=C1)O.CNCCO>>OCCN(C)CC1=C(C=CC(=C1)[N+](=O)[O-])O
5
[C:1]1([CH3:7])[CH:6]=[CH:5]C=CC=1.[H-].[Na+].[S:10]1[CH2:15][CH2:14][CH2:13][S:12][CH:11]1[C:16]([O:18][CH2:19][CH3:20])=[O:17].BrCC1CC1>CN(C=O)C>[CH2:19]([O:18][C:16]([C:11]1([CH2:7][CH:1]2[CH2:6][CH2:5]2)[S:12][CH2:13][CH2:14][CH2:15][S:10]1)=[O:17])[CH3:20]
1
[Br:1][C:2]1[CH:7]=[CH:6][CH:5]=[C:4]([Br:8])[C:3]=1[CH3:9].C1C(=O)N(Br)C(=O)C1.CC(N=NC(C#N)(C)C)(C#N)C.[Br-].[C:31]1([P:37]([C:44]2[CH:49]=[CH:48][CH:47]=[CH:46][CH:45]=2)[C:38]2[CH:43]=[CH:42][CH:41]=[CH:40][CH:39]=2)[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=1>C(Cl)Cl.C1C=CC=CC=1>[Br-:1].[Br:1][C:2]1[CH:7]=[CH:6][CH:5]=[...
1
Cl[S:2]([C:5]1[CH:9]=[CH:8][S:7][C:6]=1[CH2:10]/[CH:11]=[CH:12]/[C:13]1[CH:18]=[CH:17][C:16]2[O:19][CH2:20][O:21][C:15]=2[CH:14]=1)(=[O:4])=[O:3].[NH2:22][C:23]1[O:27][N:26]=[C:25]([CH3:28])[C:24]=1[Br:29]>>[Br:29][C:24]1[C:25]([CH3:28])=[N:26][O:27][C:23]=1[NH:22][S:2]([C:5]1[CH:9]=[CH:8][S:7][C:6]=1[CH2:10]/[CH:11]=[...
1