Datasets:
Derify
/
ReactionSmiles

Dataset card Data Studio Files
xet
 Community
1
smiles
stringlengths
15
6.12k
source_id
int64
1
5
CI.C1(CCC1)[C@@H](C)NC1=C2N(C(=NC2=NC(=N1)C#N)C(C1=CC=CC=C1)O)C[C@@H]1CC[C@H](CC1)C>>C1(CCC1)[C@@H](C)NC1=C2N(C(=NC2=NC(=N1)C#N)C(C1=CC=CC=C1)OC)C[C@@H]1CC[C@H](CC1)C
5
ClC1=NC=C(C(=O)N)C=C1>CCO[H].[H-].[Na+]>C(C)OC1=NC=C(C(=O)N)C=C1
3
ClC1=CC2=C(NC(=C2)C(=O)NC2C(N(C3=CC=CC=C3C2)CCSC)=O)S1>>ClC1=CC2=C(NC(=C2)C(=O)NC2C(N(C3=CC=CC=C3C2)CCS(=O)(=O)C)=O)S1
5
O=C1C[C@H](N(C1)C(=O)OCC[Si](C)(C)C)C(=O)OC.BrC1=CC(=C(C=C1)C1=CC=CC=C1)C=C>>O[C@]1(C[C@H](N(C1)C(=O)OCC[Si](C)(C)C)C(=O)OC)C1=CC(=C(C=C1)C1=CC=CC=C1)C=C
5
CC1=CC=CC(=N1)C=O.C1(=CC=CC=C1)P(C1=C(C=CC=C1)CN)C1=CC=CC=C1>ClCCl.[Na+].[BH4-].CCO[H].C(O)([O-])=O.[Na+]>C1(=CC=CC=C1)P(C1=C(CNCC2=NC(=CC=C2)C)C=CC=C1)C1=CC=CC=C1
3
C(C1=CC=CC=C1)C1=CC(CCCC1)=O>C(C)OCC.[H-].[Al+3].[Li+].[H-].[H-].[H-]>C(C1=CC=CC=C1)C1=CC(CCCC1)O
3
CN(C1CNC1)C.C(C)C1=C(C=C(C(=C1)O)F)C1=CC=C2C(=NNC2=C1)C1=NC2=C(CN([C@@H](C2)C(=O)O)C(C)C)N1>N(C)(C)C=O.C(=O)(C(F)(F)F)O.Cl.C(C)(C)N(C(C)C)CC.NN.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>CN(C1CN(C1)C(=O)[C@@H]1CC2=C(CN1C(C)C)NC(=N2)C2=NNC1=CC(=CC=C21)C2=C(C=C(C(=C2)F)O)CC)C
3
O=C1N(C(C2=CC=CC=C12)=O)CC=1C(=C(C=2N(N1)C(=CC2)CC)C=2C=NC=C(C2)C)CCCCC(=O)OCC>>NCC=1C(=C(C=2N(N1)C(=CC2)CC)C=2C=NC=C(C2)C)CCCCC(=O)OCC
5
[CH3:1][O:2][C:3]1[CH:4]=[C:5]2[C:13](=O)[C:12]([C:15]3[CH:16]=[CH:17][C:18]([OH:21])=[CH:19][CH:20]=3)=[CH:11][O:10][C:6]2=[CH:7][C:8]=1[OH:9]>C(O)C.[Pd]>[OH:9][C:8]1[CH:7]=[C:6]2[C:5]([CH2:13][CH:12]([C:15]3[CH:16]=[CH:17][C:18]([OH:21])=[CH:19][CH:20]=3)[CH2:11][O:10]2)=[CH:4][C:3]=1[O:2][CH3:1]
2
C(C)(C)(C)N1N=CC=C1NC1=CC=CC(=N1)CC1(CCN(CC1)C(C1=C(C(=CC=C1)C(F)(F)F)F)=O)C1=NNC(O1)=O>>FC1=C(C(=O)N2CCC(CC2)(CC2=NC(=CC=C2)NC2=NNC=C2)C2=NNC(O2)=O)C=CC=C1C(F)(F)F
5
[NH2:1][C:2]1[N:7]=[C:6]([S:8][CH2:9][C:10]2[CH:15]=[CH:14][CH:13]=[C:12]([F:16])[C:11]=2[F:17])[N:5]=[C:4]([NH:18][C@H:19]([CH3:22])[CH2:20][OH:21])[CH:3]=1.[N:23]([O-])=[O:24].[Na+]>C(O)(=O)C.O>[NH2:1][C:2]1[N:7]=[C:6]([S:8][CH2:9][C:10]2[CH:15]=[CH:14][CH:13]=[C:12]([F:16])[C:11]=2[F:17])[N:5]=[C:4]([NH:18][C@H:19](...
2
C(OC([O:6][CH:7]1[C:12]2[CH:13]=[CH:14][S:15][C:11]=2[S:10](=[O:17])(=[O:16])[N:9]([CH2:18][CH2:19][CH2:20][O:21][CH2:22][CH3:23])[CH2:8]1)C)C.C([Li])CCC.[S:29](=[O:31])=[O:30].O.O.O.C([O-])(=O)C.[Na+].[NH2:40]OS(O)(=O)=O>C1COCC1.O>[CH2:22]([O:21][CH2:20][CH2:19][CH2:18][N:9]1[CH2:8][CH:7]([OH:6])[C:12]2[CH:13]=[C:14](...
1
C(C)(C)(C)C1CC2=C(C3=CC(C(=CN13)C(=O)OCC)=O)C=C(C(=C2)OCCCN2N=CC=C2)OC>CCO[H].[OH-].[Na+]>C(C)(C)(C)C1CC2=C(C3=CC(C(=CN13)C(=O)O)=O)C=C(C(=C2)OCCCN2N=CC=C2)OC
3
[H-].[Na+].[C:3]([O:19][CH2:20][CH3:21])(=[O:18])[CH2:4][C:5]([CH2:12][C:13]([O:15][CH2:16][CH3:17])=[O:14])([C:7]([O:9][CH2:10][CH3:11])=[O:8])[OH:6].[Cl-]>C1COCC1>[C:7]([OH:9])(=[O:8])[CH2:5][CH2:4][CH3:3].[C:13]([O:15][CH2:16][CH3:17])(=[O:14])[CH2:12][C:5]([CH2:4][C:3]([O:19][CH2:20][CH3:21])=[O:18])([C:7]([O:9][CH...
1
C(C1=CC=CC=C1)OC(=O)N1C[C@@H]([C@H](C1)O)CO>c3c(P(c1ccccc1)c2ccccc2)cccc3.ClCCl.CN(C(C)=O)C.C(Br)(Br)(Br)Br>C(C1=CC=CC=C1)OC(=O)N1C[C@@H]([C@H](C1)O)CBr
3
Br[CH:2]([C:11]#[C:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH3:24])[CH2:3][CH2:4][CH2:5][CH2:6][C:7]([O:9][CH3:10])=[O:8].[SH:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][C:31]([O:33][CH3:34])=[O:32].C([O-])([O-])=O.[Cs+].[Cs+]>CN(C=O)C>[CH3:10][O:9][C:7](=[O:8])[CH2:6...
1
C1=CC=CC=2C3=CC=CC=C3C(C12)COC(=O)N[C@@H](C(C)C)C(=O)N([C@H]([C@@H](CC(=O)O)OC)[C@H](CC)C)C>ClCCl.C(=O)(C(F)(F)F)O.C(C)(C)N(C(C)C)CC.P(OCC)(OCC)(=O)C#N>CO[C@H](CC(=O)N1[C@@H](CCC1)[C@@H]([C@H](C(N[C@@H](CC1=CC=CC=C1)C=1SC=CN1)=O)C)OC)[C@H]([C@H](CC)C)N(C(=O)[C@H](C(C)C)NC(OCC1C2=CC=CC=C2C=2C=CC=CC12)=O)C
3
Cl[C:2]1[C:3]([NH2:8])=[N:4][CH:5]=[CH:6][N:7]=1.C(=O)([O-])[O-].[Na+].[Na+].[F:15][C:16]1[CH:25]=[C:24](B2OC(C)(C)C(C)(C)O2)[CH:23]=[CH:22][C:17]=1[C:18]([O:20][CH3:21])=[O:19]>COCCOC.C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.Cl[Pd]Cl.[Fe+2].C(Cl)Cl>[NH2:8][C:3]1[C:2]([C:24]2[CH:2...
1
[CH3:1][O:2][C:3]1[CH:4]=[C:5]2[C:10](=[CH:11][CH:12]=1)[C:9]([O:13][C:14]1[CH:19]=[CH:18][C:17]([O:20][CH2:21][CH2:22][N:23]3[CH2:28][CH2:27][CH2:26][CH2:25][CH2:24]3)=[CH:16][CH:15]=1)=[C:8](OS(C(F)(F)F)(=O)=O)[CH:7]=[CH:6]2.[F:37][C:38]1[CH:39]=[C:40](B(O)O)[CH:41]=[C:42]([F:45])[C:43]=1[F:44].[F-].[Cs+].C1(P(C2CCCC...
1
[CH3:1][O:2][CH2:3][C:4]([OH:6])=O.[Cl:7][C:8]1[CH:9]=[C:10]([CH:13]=[C:14]([O:16][C:17]2[C:18]([CH3:29])=[N:19][NH:20][C:21]=2[CH2:22][N:23]2[CH2:28][CH2:27][NH:26][CH2:25][CH2:24]2)[CH:15]=1)[C:11]#[N:12]>ClCCl>[Cl:7][C:8]1[CH:9]=[C:10]([CH:13]=[C:14]([O:16][C:17]2[C:18]([CH3:29])=[N:19][NH:20][C:21]=2[CH2:22][N:23]2...
1
[F:1][C:2]1[C:16]([C:17]2[CH:18]=[C:19]3[C:23](=[CH:24][C:25]=2[NH:26][C:27]([C:29]2[N:30]=[C:31]([C:34]4[N:38](C5CCCCO5)[N:37]=[C:36]([CH3:45])[CH:35]=4)[S:32][CH:33]=2)=[O:28])[N:22](COCC[Si](C)(C)C)[N:21]=[CH:20]3)=[CH:15][CH:14]=[CH:13][C:3]=1[CH2:4][NH:5]C(=O)OC(C)(C)C.[ClH:54]>CO.O>[ClH:54].[NH2:5][CH2:4][C:3]1[C...
2
ClC1=NC=CC=N1.CN1C(CC[C@@]2(C3=C(CC[C@@H]12)C=C(C=C3)S)C)=O>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+].C(C)(=O)OCC>CN1C(CC[C@@]2(C3=C(CC[C@@H]12)C=C(C=C3)SC3=NC=CC=N3)C)=O
3
[NH2:1][C:2]1[C:3]2[C:16]3[CH:17]=[CH:18][CH:19]=[CH:20][C:15]=3[S:14][C:4]=2[NH:5][C:6]2[CH:12]=[C:11](F)[CH:10]=[CH:9][C:7]=2[N:8]=1.Cl.CN(C)CCNC.C(O)(=O)CC(CC(O)=O)(C(O)=O)O.[F:42]C1C=CC2N=C(N(CCN(C)C)C)C3C4C=CC=CC=4SC=3NC=2C=1>CS(C)=O>[NH2:1][C:2]1[C:3]2[C:16]3[CH:17]=[CH:18][C:19]([F:42])=[CH:20][C:15]=3[S:14][C:4...
1
COC(C(=COCCCl)CC)=O>CO[H].[HH].[Pd]>COC(C(COCCCl)CC)=O
3
C[O-].[Na+].[CH3:4][C:5]1[CH:10]=[CH:9][C:8]([C:11]([CH3:13])=[O:12])=[CH:7][CH:6]=1.C[O:15][C:16](=O)[C:17]([F:20])([F:19])[F:18].Cl>C1(C)C=CC=CC=1>[F:18][C:17]([F:20])([F:19])[C:16](=[O:15])[CH2:13][C:11]([C:8]1[CH:9]=[CH:10][C:5]([CH3:4])=[CH:6][CH:7]=1)=[O:12]
1
FC(C1=C(C=CC=C1)C=1C=CC=2N(N1)C(=CN2)C(=O)O)(F)F.CC1(OCC(O1)COC1=CC=CC(=N1)N)C>>CC1(OCC(O1)COC1=CC=CC(=N1)NC(=O)C1=CN=C2N1N=C(C=C2)C2=C(C=CC=C2)C(F)(F)F)C
5
[CH2:1]([S:3][C:4]1[CH:12]=[C:11]2[C:7]([C:8]([C:13]#[N:14])=[CH:9][NH:10]2)=[CH:6][CH:5]=1)[CH3:2].[CH:15]1(Br)[CH2:18][CH2:17][CH2:16]1>CN(C=O)C>[CH:15]1([N:10]2[C:11]3[C:7](=[CH:6][CH:5]=[C:4]([S:3][CH2:1][CH3:2])[CH:12]=3)[C:8]([C:13]#[N:14])=[CH:9]2)[CH2:18][CH2:17][CH2:16]1
1
C(C)(C)(C)OC(=O)N1N=CC(=C1)B1OC(C(O1)(C)C)(C)C.BrC1=C(C(=O)OC)C=C(C=C1)N1C(C(CC1)NC1=CC(=CC=C1)OC)=O>O.O1CCOCC1.P(=O)([O-])([O-])[O-].[K+].[K+].[K+].Nc1ccccc1-c2ccccc2[Pd]Cl.Nc3ccccc3-c4ccccc4[Pd]Cl.CC(C)c5cc(C(C)C)c(-c6cccc(c6)P(C7CCCCC7)C8CCCCC8)c(c5)C(C)C.CC(C)c9cc(C(C)C)c(c(c9)C(C)C)-c%10ccccc%10P(C%11CCCCC%11)C%12...
3
[CH2:1]([O:8][C:9]1[C:13]([CH:14]([CH:16]2[CH2:21][CH2:20][CH2:19][CH2:18][CH2:17]2)O)=[CH:12][N:11]([C:22]2[CH:27]=[CH:26][C:25]([O:28][C:29]([F:32])([F:31])[F:30])=[CH:24][CH:23]=2)[N:10]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[NH2:33][C:34]1[CH:39]=[CH:38][C:37]([C:40]([N:42]([CH3:50])[CH2:43][CH2:44][C:45]([O:4...
1
C(C=C)OCC=1C=NC=C(C1Br)Br>CC#N.O.c3c(P(c1ccccc1)c2ccccc2)cccc3.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.CCN(CC)CC>BrC1=C2C(=CN=C1)COCC2=C
3
[CH:1]([C@H:14]1[O:19][CH2:18][C@@H:17]([NH2:20])[CH2:16][CH2:15]1)([C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[Cl:21][C:22]1[CH:23]=[C:24]([CH:27]=[CH:28][C:29]=1[Cl:30])[CH:25]=O.C(O)(=O)C.[BH3-]C#N.[Na+]>ClCCCl.CO>[CH:1]([C@H:14]1[O:19][CH2:18][C@@H:17]([NH:20][CH2:25][C:24...
1
[Cl-].[Li+].[CH3:3][N:4]1[CH2:9][CH2:8][N:7]([CH2:10][CH2:11][O:12][C:13]2[CH:18]=[CH:17][N:16]3[C:19]([C:22]([OH:24])=O)=[CH:20][N:21]=[C:15]3[CH:14]=2)[CH2:6][CH2:5]1.O=P(Cl)(Cl)Cl.[F:30][C:31]([F:50])([F:49])[C:32]1[CH:33]=[CH:34][C:35]([CH2:38][N:39]2[C:47]3[CH:46]=[CH:45][CH:44]=[C:43]([NH2:48])[C:42]=3[CH:41]=[N:...
1
[C-]#N.[Na+].C(C)(=O)NC1=NC2=CC=C(C=C2C=C1)CBr>N(C)(C)C=O>C(C)(=O)NC1=NC2=CC=C(C=C2C=C1)CC#N
3
NC=1C=C(C=C(C1)C(F)(F)F)O.FC1=C(C=C(C=C1)[N+](=O)[O-])C#CCNC(OC(C)(C)C)=O>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>NC=1C=C(OC2=C(C=C(C=C2)[N+](=O)[O-])C#CCNC(OC(C)(C)C)=O)C=C(C1)C(F)(F)F
3
FC(C=1C=C(C=CC1OC(C(F)(F)F)C)C1=NC(=NO1)C1=C2C=CNC2=CC=C1)(F)F.C(O)(O)=O.CCl>>FC(C=1C=C(C=CC1OC(C(F)(F)F)C)C1=NC(=NO1)C1=C2C=CN(C2=CC=C1)C(=O)OC)(F)F
5
ClC1=C(C(=O)N2C=C(C3=CC(=CC=C23)[N+](=O)[O-])C)C(=CC=C1)Cl>>NC=1C=C2C(=CN(C2=CC1)C(C1=C(C=CC=C1Cl)Cl)=O)C
5
Cl.[C@H:2]12[CH2:8][C@H:5]([NH:6][CH2:7]1)[CH2:4][N:3]2[CH2:9][C:10]1[CH:25]=[CH:24][C:13]([O:14][C:15]2[S:16][C:17]3[CH:23]=[CH:22][CH:21]=[CH:20][C:18]=3[N:19]=2)=[CH:12][CH:11]=1.[C:26](O)(=[O:29])[CH2:27][OH:28].Cl.CN(C)CCCN=C=NCC.CCN(CC)CC>C(Cl)Cl>[S:16]1[C:17]2[CH:23]=[CH:22][CH:21]=[CH:20][C:18]=2[N:19]=[C:15]1[...
1
Br[C:2]1[CH:7]=[CH:6][C:5]([CH2:8][CH:9]([CH:11]2[CH2:16][CH2:15][N:14]([C:17]([O:19][C:20]([CH3:23])([CH3:22])[CH3:21])=[O:18])[CH2:13][CH2:12]2)[OH:10])=[CH:4][CH:3]=1.[C:24]([O-:27])(=O)[CH3:25].[NH4+:28].CC1(C)C2C(=C(P(C3C=CC=CC=3)C3C=CC=CC=3)C=CC=2)OC2C(P(C3C=CC=CC=3)C3C=CC=CC=3)=CC=CC1=2.C(=O)([O-])[O-].[Cs+].[Cs...
2
C([O:3][C:4]([C:6]1[CH:7]=[C:8](B(O)O)[CH:9]=[CH:10][CH:11]=1)=[O:5])C.Br[C:16]1[C:17]([Cl:36])=[C:18]([C:32]([Cl:35])=[CH:33][CH:34]=1)[CH2:19][CH:20]1[CH2:24][CH2:23][N:22]([CH:25]2[CH2:30][CH2:29][CH2:28][CH2:27][CH2:26]2)[C:21]1=[O:31].COCCOC.C(=O)([O-])[O-].[Na+].[Na+]>C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)...
1
Cl.[N:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[CH:8]=O.C=O.CO.[C:14](#[N:16])C>C(O)C.C(Cl)Cl>[CH:8]1[N:16]=[CH:14][N:2]2[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=12
1
[Br:1]N1C(=O)CCC1=O.[CH3:9][C:10]1[S:11][C:12]2[CH:18]=[CH:17][C:16]([O:19][CH3:20])=[CH:15][C:13]=2[N:14]=1>C(Cl)(Cl)(Cl)Cl>[Br:1][CH2:9][C:10]1[S:11][C:12]2[CH:18]=[CH:17][C:16]([O:19][CH3:20])=[CH:15][C:13]=2[N:14]=1
1
[C:1](=[O:17])([O:14][CH2:15]Cl)[O:2][CH2:3][CH2:4][CH2:5][O:6][CH2:7][C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1.[I-:18].[Na+].O>C(#N)C>[C:1](=[O:17])([O:14][CH2:15][I:18])[O:2][CH2:3][CH2:4][CH2:5][O:6][CH2:7][C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1
1
ClC1=CC=C2C=CC(=NC2=N1)O[C@@H]1C[C@@H](N(C1)C(=O)OC(C)(C)C)C>C1CCCO1.CO[H].[H-].[Na+].[Cl-].[NH4+]>COC1=CC=C2C=CC(=NC2=N1)O[C@@H]1C[C@@H](N(C1)C(=O)OC(C)(C)C)C
3
[N:1]([CH:4]1[CH2:13][C:12]2[C:11]([NH:14][C:15](=[O:17])[CH3:16])=[CH:10][CH:9]=[C:8]([Br:18])[C:7]=2[CH2:6][CH2:5]1)=[N+:2]=[N-:3].[N+:19]([O-])([OH:21])=[O:20]>>[N:1]([CH:4]1[CH2:13][C:12]2[C:11]([NH:14][C:15](=[O:17])[CH3:16])=[C:10]([N+:19]([O-:21])=[O:20])[CH:9]=[C:8]([Br:18])[C:7]=2[CH2:6][CH2:5]1)=[N+:2]=[N-:3]
1
C(C)(C)(C)NS(=O)(=O)C1=CC(=CC=C1)C1=NC=C(C(=N1)NC1=CC(=NN1)C1CC1)O>>C1(CC1)C1=NNC(=C1)NC1=NC(=NC=C1O)C=1C=C(C=CC1)S(=O)(=O)N
5
FC1=C(COC2=C(C=C(CN(CCNC(OC(C)(C)C)=O)C(=O)C=3SC=CC3)C=C2)OC)C=CC(=C1)F>>FC(C(=O)O)(F)F.NCCN(C(=O)C=1SC=CC1)CC1=CC(=C(C=C1)OCC1=C(C=C(C=C1)F)F)OC
5
CI.BrC=1C=CC(=C(C1)C1=NC(=CC2=CC=CC=C12)C(=O)N[C@@H](CC)C)Cl>>BrC=1C=CC(=C(C1)C1=NC(=C(C2=CC=CC=C12)[C@@H](CC)C)C(=O)NC)Cl
5
Cl.C(C)OC([C@@H](N)CO)=O.CC(CC(C[C@H](C(=O)O)CC=C)=O)(C)C>>CC(CC(C[C@H](C(=O)N[C@H](C(=O)OCC)CO)CC=C)=O)(C)C
5
[CH:1]1[C:13]2[CH2:12][C:11]3[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=3)[C:5]=2[CH:4]=[CH:3][CH:2]=1.[Li][CH2:15]CCC.CI.Cl>C1COCC1>[CH3:15][CH:12]1[C:11]2[CH:10]=[CH:9][CH:8]=[CH:7][C:6]=2[C:5]2[C:13]1=[CH:1][CH:2]=[CH:3][CH:4]=2
1
FC1=C(C=CC=C1)B(O)O.BrC1=C(C=C(C(=C1)Br)OC)OC>C1(=CC=CC=C1)C.O.C([O-])([O-])=O.[Na+].[Na+].COCCOC.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>FC1=C(C=CC=C1)C1=C(C=C(C(=C1)C1=C(C=CC=C1)F)OC)OC
3
C(C)(C)OB1OC(C(O1)(C)C)(C)C.BrC1=C(C(=C(C=C1)O)Cl)Cl>C1CCCO1.Cl.C(CCC)[Li]>ClC1=C(C=CC(=C1Cl)B1OC(C(O1)(C)C)(C)C)O
3
CCC([O-])(C)C.[Na+].Cl[C:9]1[C:10]([Cl:16])=[N:11][C:12]([Cl:15])=[N:13][CH:14]=1.[CH3:17][CH:18]([CH3:22])[CH2:19][CH2:20][OH:21]>>[Cl:15][C:12]1[N:11]=[C:10]([Cl:16])[CH:9]=[C:14]([O:21][CH2:20][CH2:19][CH:18]([CH3:22])[CH3:17])[N:13]=1
1
COC1=CC=C(C#N)C=C1>N(C)(C)C=O.O>COC1=CC=C(C(=O)N)C=C1
3
OC1CCN(CC1)C.ClC1=CC=C(C=C1)C1=CC2=C(C(N(N=C2)CC2=CC(=CC=C2)O)=O)S1>>C(C)(=O)O.ClC1=CC=C(C=C1)C1=CC2=C(C(N(N=C2)CC2=CC(=CC=C2)OC2CCN(CC2)C)=O)S1
5
Cl[C:2]1[C:11]2[C:6](=[CH:7][C:8]([O:14][CH2:15][CH2:16][CH2:17][N:18]3[CH2:22][CH2:21][CH2:20][CH2:19]3)=[C:9]([C:12]#[N:13])[CH:10]=2)[N:5]=[CH:4][CH:3]=1.[F:23][C:24]1[CH:32]=[C:31]2[C:27]([CH:28]=[CH:29][NH:30]2)=[CH:26][C:25]=1[OH:33]>>[C:12]([C:9]1[CH:10]=[C:11]2[C:6](=[CH:7][C:8]=1[O:14][CH2:15][CH2:16][CH2:17][...
2
[Cl:1][C:2]1[CH:7]=[C:6]([N+:8]([O-])=O)[C:5]([NH:11][C:12](=O)[CH2:13][C:14]([F:17])([F:16])[F:15])=[C:4]([F:19])[CH:3]=1.B.O1CCCC1>C1COCC1>[Cl:1][C:2]1[CH:7]=[C:6]([NH2:8])[C:5]([NH:11][CH2:12][CH2:13][C:14]([F:15])([F:16])[F:17])=[C:4]([F:19])[CH:3]=1
1
S[C@@H]1CN(CC1)C(=O)OC(C)(C)C.I.CSC1=NCCC2=C(N1)C=CC=C2>CC#N.C([O-])([O-])=O.[K+].[K+]>N1C(=NCCC2=C1C=CC=C2)S[C@@H]2CN(CC2)C(=O)OC(C)(C)C
3
BrC1=CC=C(C=N1)C(C)=O>N(C)(C)C=O.O.c1cnc[nH]1.C([O-])([O-])=O.[K+].[K+].[Cl-].[NH4+]>N1(C=NC=C1)C1=CC=C(C=N1)C(C)=O
3
CC1(C(C1C=C(C(F)(F)F)OC)C(=O)O)C>ClS(Cl)=O.C(Cl)(Cl)(Cl)Cl>CC1(C(C1C=C(C(F)(F)F)OC)C(=O)Cl)C
3
C(O[C:4](=[O:34])[C:5]1[CH:10]=[CH:9][C:8]([C:11]2[CH:16]=[CH:15][C:14]([O:17][CH:18]3[CH2:21][N:20]([CH2:22][C:23]4[CH:28]=[CH:27][C:26]([C:29]([F:32])([F:31])[F:30])=[CH:25][CH:24]=4)[CH2:19]3)=[CH:13][N:12]=2)=[CH:7][C:6]=1[F:33])C.[NH3:35]>CO>[F:33][C:6]1[CH:7]=[C:8]([C:11]2[CH:16]=[CH:15][C:14]([O:17][CH:18]3[CH2:...
2
C(C)I.CC1=CSC2=NC3=C(N21)C=CC=C3>CC(=O)C>[I-].C(C)[N+]1=C2N(C3=C1C=CC=C3)C(=CS2)C
3
[NH2:1][C:2]1[N:7]=[CH:6][N:5]=[C:4]([NH:8][C@H:9]([C:11]2[N:16]([C:17]3[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=3)[C:15](=[O:23])[C:14]3=[C:24]([CH3:27])[CH:25]=[CH:26][N:13]3[N:12]=2)[CH3:10])[C:3]=1Br.[F:29][C:30]1[CH:31]=[C:32](B(O)O)[CH:33]=[C:34]([F:37])[C:35]=1[OH:36].C(=O)([O-])[O-].[Na+].[Na+]>>[NH2:1][C:2]1[N:7]...
1
C(N1C=CN=C1)(N1C=CN=C1)=O.C(OC([NH:20][CH2:21][C:22](O)=[O:23])=O)(C)(C)C.[NH2:25][CH2:26][CH:27]([C:29]1[CH:34]=[C:33]([O:35][CH3:36])[CH:32]=[CH:31][C:30]=1[O:37][CH3:38])[OH:28].[ClH:39]>C(OCC)(=O)C>[CH3:36][O:35][C:33]1[CH:32]=[CH:31][C:30]([O:37][CH3:38])=[C:29]([CH:27]([OH:28])[CH2:26][NH:25][C:22]([CH2:21][NH2:2...
2
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.C1NCC12CC(C2)C(=O)O>ClCCl.CCN(CC)CC.S([O-])(O)(=O)=O.[Na+]>C(C)(C)(C)OC(=O)N1CC2(C1)CC(C2)C(=O)O
3
NOS(=O)(=O)O.C(C)B(CC)CC.CC1=NC=C(C=C1)C=1N(C=C(N1)C(F)(F)F)C1=CC=C(C=C1)S(=O)(=O)C>C1CCCO1.C(CCC)[Mg]Cl>CC1=CC=C(C=N1)C=1N(C=C(N1)C(F)(F)F)C1=CC=C(C=C1)S(=O)(=O)N
3
[NH2:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[NH:7][CH:6]=[C:5]2[CH:11]1[CH2:16][CH2:15][N:14]([CH3:17])[CH2:13][CH2:12]1.[CH3:18][CH:19]([N:26]=[C:27]=[O:28])[C:20]1[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=1>>[CH3:18][CH:19]([NH:26][C:27]([NH:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[NH:7][CH:6]=[C:5]2[CH:11]1[CH2...
1
C(C1=CC=CC=C1)OCC(=O)Cl.Cl.NC1=CC=C2CCC(C2=C1O)CCNC(C)=O>>C(C)(=O)NCCC1CCC2=CC=C(C(=C12)O)NC(COCC1=CC=CC=C1)=O
5
Cl[Sn]Cl.ClC1=C(C(=C(C=C1OC)OC)Cl)C=1C(N(C2=C(C(=NC=C2C1)NC1=C(C=CC=C1)[N+](=O)[O-])C)C)=O>>NC1=C(C=CC=C1)NC1=NC=C2C=C(C(N(C2=C1C)C)=O)C1=C(C(=CC(=C1Cl)OC)OC)Cl
5
BrC1=CC=C(C=C1)O.BrCC(=O)C1CC1>>BrC1=CC=C(OCC(=O)C2CC2)C=C1
5
BrC=1C=CC(=NC1)[N+](=O)[O-].Cl.C(C)N1CC(NCC1)=O>O1CCOCC1.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.[Pd].[Pd].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.C(=O)([O-])[O-].[Cs+].[Cs+]>C(C)N1CC(N(CC1)C=1C=NC(=CC1)[N...
3
NO.C(C1=CC=CC=C1)N1C2=C(OCC1)C=CC(=C2)C(=O)OC>C1CCCO1.CO[H].[OH-].[Na+]>C(C1=CC=CC=C1)N1C2=C(OCC1)C=CC(=C2)C(=O)NO
3
C[C@@H](C1=CC=CC=C1)N.ClC=1C=C2C=C(C(NC2=CC1)C(F)(F)F)C(=O)O>>ClC=1C=C2C=C([C@H](NC2=CC1)C(F)(F)F)C(=O)O
5
[F:1][C@@H:2]1[CH2:6][N:5]([C:7]([O:9][C:10]([CH3:13])([CH3:12])[CH3:11])=[O:8])[C@H:4]([CH2:14][OH:15])[CH2:3]1.C(N(CC)CC)C>CS(C)=O.C(OCC)C>[F:1][C@@H:2]1[CH2:6][N:5]([C:7]([O:9][C:10]([CH3:11])([CH3:12])[CH3:13])=[O:8])[C@H:4]([CH:14]=[O:15])[CH2:3]1
2
C1(CCCC1)C[C@H](CN(C=O)OC1OCCCC1)C(=O)NNC1=NC(=NC(=C1F)N(CC1=CC=NC=C1)C)C>O.C(C)(=O)O>C1(CCCC1)C[C@H](CN(C=O)O)C(=O)NNC1=NC(=NC(=C1F)N(CC1=CC=NC=C1)C)C
3
[Cl-].C[Zn+].ClC1=CC=C2C(=N1)N(C=C2)S(=O)(=O)C2=CC=C(C)C=C2>>CC1=CC=C2C(=N1)N(C=C2)S(=O)(=O)C2=CC=C(C)C=C2
5
Cl.[CH2:2]([O:4][C:5](=[O:25])[CH2:6][O:7][C:8]1[CH:13]=[CH:12][C:11]([F:14])=[CH:10][C:9]=1[CH:15]1[C:24]2[C:19](=[CH:20][CH:21]=[CH:22][CH:23]=2)[CH2:18][CH2:17][NH:16]1)[CH3:3].C(N(C(C)C)C(C)C)C.[Br:35][CH2:36][C:37](Br)=[O:38]>C(Cl)Cl>[CH2:2]([O:4][C:5](=[O:25])[CH2:6][O:7][C:8]1[CH:13]=[CH:12][C:11]([F:14])=[CH:10...
1
CI.C(C)(C)(C)OC(=O)NC1CC(C1)OC1CCN(CC1)C(=O)OCC1=CC=CC=C1>>C(C)(C)(C)OC(=O)N(C1CC(C1)OC1CCN(CC1)C(=O)OCC1=CC=CC=C1)C
5
COC1=CC=C(C(C)O)C=C1>O1CCOCC1.[O]>CC(=O)C1=CC=C(C=C1)OC
3
[N+:1]([C:4]1[CH:9]=[CH:8][C:7]([NH:10][C@H:11]2[CH2:15][CH2:14][N:13](C(OC(C)(C)C)=O)[CH2:12]2)=[CH:6][C:5]=1[C:23]([F:26])([F:25])[F:24])([O-:3])=[O:2].Br[CH2:28][C:29]1[CH:34]=[CH:33][CH:32]=[CH:31][C:30]=1[CH3:35]>>[CH3:28][C:29]1[CH:34]=[CH:33][CH:32]=[CH:31][C:30]=1[CH2:35][N:10]([C:7]1[CH:8]=[CH:9][C:4]([N+:1]([...
2
ClC=1C(=CC=C2N=CC(=NC12)C=1C=NN(C1)CCC1OCC=C1)OC=1C=CC2=C(N(C(=N2)C)COCC[Si](C)(C)C)C1>O.C(=O)(C(F)(F)F)O>ClC=1C(=CC=C2N=CC(=NC12)C=1C=NN(C1)CCC1OCC=C1)OC=1C=CC2=C(NC(=N2)C)C1
3
[CH:1]1[CH:6]=[CH:5][C:4]([P-:7][C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=2)=[CH:3][CH:2]=1.[K+].F[C:16]1[CH:21]=[CH:20][CH:19]=[CH:18][C:17]=1[NH:22][C:23]1[C:28]([CH:29]([CH3:31])[CH3:30])=[CH:27][CH:26]=[CH:25][C:24]=1[CH:32]([CH3:34])[CH3:33]>O1CCOCC1>[C:8]1([P:7]([C:4]2[CH:3]=[CH:2][CH:1]=[CH:6][CH:5]=2)[C:16]2[C...
1
Br[C:2]1[CH:7]=[CH:6][C:5]([N:8]2[CH2:13][CH2:12][N:11]([C:14]([O:16][C:17]([CH3:20])([CH3:19])[CH3:18])=[O:15])[CH2:10][CH2:9]2)=[CH:4][CH:3]=1.[Li]CCCC.[B:26](OC(C)C)([O:31]C(C)C)[O:27]C(C)C.[NH4+].[Cl-].OP(O)(O)=O>C1COCC1.CC1C=CC=CC=1.CCCCCCC.O>[C:17]([O:16][C:14]([N:11]1[CH2:12][CH2:13][N:8]([C:5]2[CH:6]=[CH:7][C:2...
1
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.C(C)(C)(C)OC(=O)N1CC(CC1)SC=1C=C2C=NNC2=CC1>>C(C)(C)(C)OC(=O)N1N=CC2=CC(=CC=C12)SC1CN(CC1)C(=O)OC(C)(C)C
5
C1(CC1)COC1=CC=C2C=CC=C(C2=C1)NC(C)=O>[OH-].[Na+].COCCO>C1(CC1)COC1=CC=C2C=CC=C(C2=C1)N
3
COCCl.COC=1C=C(C=C(C1)C=1C=NNC1)SCCC(=O)OCC(CCCC)CC>C1CCCO1.[H-].[Na+]>FC(C(=O)O)(F)F.FC(C(=O)O)(F)F.FC(C(=O)O)(F)F.COC=1C=C(C=C(C1)C=1C=NNC1)S(=O)(=O)C1=CN=C(S1)CN
3
CN(C(=O)C1=CC=C2CC[C@H](C2=C1)NC(OC(C)(C)C)=O)C1CCN(CC1)C1=CC=NC=C1>ClCCl.C(=O)(C(F)(F)F)O>N[C@@H]1CCC2=CC=C(C=C12)C(=O)N(C1CCN(CC1)C1=CC=NC=C1)C
3
ClC1=CC=C2C(=CN(C2=C1F)C=1C=NN(C1)CCC)SC=1C(=C(C(=O)OCC)C=CC1)F>>ClC=1N(C2=C(C(=CC=C2C1SC=1C(=C(C(=O)OCC)C=CC1)F)Cl)F)C=1C=NN(C1)CCC
5
C1(=CC=CC=C1)C1=CC2=C(N=C(S2)CC2=NN=C(O2)C[C@@H](C(=O)OCC2=CC=CC=C2)NS(N)(=O)=O)C=C1>>C1(=CC=CC=C1)C1=CC2=C(N=C(S2)CC2=NN=C(O2)C[C@H]2C(NS(N2)(=O)=O)=O)C=C1
5
[CH:1]1[CH:10]=[C:9]2[C:4]([CH:5]=[C:6]([SH:11])[CH:7]=[CH:8]2)=[CH:3][CH:2]=1.[N:12]1[CH:17]=[CH:16][CH:15]=[C:14]([CH2:18][CH2:19][C:20](=[O:23])[CH:21]=[CH2:22])[CH:13]=1>C(O)C>[N:12]1[CH:17]=[CH:16][CH:15]=[C:14]([CH2:18][CH2:19][C:20](=[O:23])[CH2:21][CH2:22][S:11][C:6]2[CH:7]=[CH:8][C:9]3[C:4](=[CH:3][CH:2]=[CH:1...
1
ICC1(CN2[C@H](CO1)CNCC2)C>CO[H].CCN(CC)CC.[HH].[Pd]>CC1(CN2[C@H](CO1)CNCC2)C
3
ClC(C(=O)N=C=O)(Cl)Cl.NC=1SC(=CC1C(=O)OC)C1=CC=CC=C1>C1CCCO1>C1(=CC=CC=C1)C1=CC(=C(S1)NC(=O)NC(C(Cl)(Cl)Cl)=O)C(=O)OC
3
FC1=C2C=CC=NC2=C(C(=C1)C(C)=O)N1CCNCC1.CN1N=CC(=C1)C(=O)Cl>>FC1=C2C=CC=NC2=C(C(=C1)C(C)=O)N1CCN(CC1)C(=O)C=1C=NN(C1)C
5
C(C)(C)(C)OC(N[C@H](CO)CCO[Si](C)(C)C(C)(C)C)=O>c1cnc[nH]1.ClCCl.ClS(Cl)=O>C(C)(C)(C)[C@@]1(N(S(OC1)=O)C(=O)[O-])CCO[Si](C)(C)C(C)(C)C
4
CN(C(=O)CN1CCN(CC1)CC1CCN(CC1)C(=O)OC(C)(C)C)C>Cl.O1CCOCC1>Cl.CN(C(CN1CCN(CC1)CC1CCNCC1)=O)C
3
C(OC([N:8]1[C:16]2[C:11](=[CH:12][CH:13]=[C:14]([C:17]([CH3:20])([CH3:19])[CH3:18])[CH:15]=2)[CH2:10][CH2:9]1)=O)(C)(C)C.Cl>C(Cl)Cl>[C:17]([C:14]1[CH:15]=[C:16]2[C:11]([CH2:10][CH2:9][NH:8]2)=[CH:12][CH:13]=1)([CH3:20])([CH3:18])[CH3:19]
1
C[O:2][C:3](=[O:18])[CH2:4][C:5]1[C:6]([F:17])=[C:7]2[C:12](=[CH:13][C:14]=1[F:15])[N:11]=[CH:10][C:9]([Br:16])=[CH:8]2>[OH-].[Na+]>[Br:16][C:9]1[CH:10]=[N:11][C:12]2[C:7]([CH:8]=1)=[C:6]([F:17])[C:5]([CH2:4][C:3]([OH:18])=[O:2])=[C:14]([F:15])[CH:13]=2
1
FC1(CN(CC1)C1=C2N=CN(C2=NC(=N1)OCC(C)(C)C)C1OCCCC1)F>>FC1(CN(CC1)C1=C2N=CNC2=NC(=N1)OCC(C)(C)C)F
5
FC(C1=C(C=CC=C1)N=C=O)(F)F.Br.NCC(=O)N[C@@H]1[C@@H](CCCC1)NC(C1=CC=C(C=C1)S(=O)(=O)N)=O>N(C)(C)C=O.CN1CCOCC1>NS(=O)(=O)C1=CC=C(C(=O)N[C@H]2[C@H](CCCC2)NC(CNC(=O)NC2=C(C=CC=C2)C(F)(F)F)=O)C=C1
3
[C:1]([C:4]1[CH2:5][CH2:6][C:7](=[O:11])[NH:8][C:9]=1[CH3:10])(=[O:3])[CH3:2]>[Pd]>[C:1]([C:4]1[CH:5]=[CH:6][C:7](=[O:11])[NH:8][C:9]=1[CH3:10])(=[O:3])[CH3:2]
1
C(#N)C.[Br:4][C:5]1[CH:6]=[C:7]([CH:12]=[C:13]([CH2:16][CH2:17][CH2:18][OH:19])[C:14]=1[CH3:15])[C:8]([O:10][CH3:11])=[O:9].S([O-])([O-])(=O)=O.[Na+].[Na+].[F:27][C:28]([F:36])(S(F)(=O)=O)C(O)=O>O>[Br:4][C:5]1[CH:6]=[C:7]([CH:12]=[C:13]([CH2:16][CH2:17][CH2:18][O:19][CH:28]([F:36])[F:27])[C:14]=1[CH3:15])[C:8]([O:10][C...
1