Datasets:
Derify
/
ReactionSmiles

Dataset card Data Studio Files
xet
 Community
1
smiles
stringlengths
15
6.12k
source_id
int64
1
5
C(OC)(OC)OC.CC=1C(=NC=CC1)C=O.N1C(=NC=C1)CN(CC=1NC=CN1)CC1=CC=C(C(=O)NCCCCN)C=C1>CO[H].[Na+].[BH4-]>N1C(=NC=C1)CN(CC=1NC=CN1)CC1=CC=C(C(=O)NCCCCNCC2=NC=CC=C2C)C=C1
3
C(C1=CC=CC=C1)OC1=CC=C(C=C1)N1CCC(CC1)(O)C1=CC=C(C=C1)C(F)(F)F>>OC1=CC=C(C=C1)N1CCC(CC1)(O)C1=CC=C(C=C1)C(F)(F)F
5
[S:1]1[C:6]2[CH:7]=[CH:8][CH:9]=[CH:10][C:5]=2[NH:4][C:3](=[O:11])[CH2:2]1.C([O-])([O-])=O.[Cs+].[Cs+].[Cl:18][CH2:19][CH2:20][CH2:21]I.CCCCCCC>C(#N)C>[Cl:18][CH2:19][CH2:20][CH2:21][N:4]1[C:5]2[CH:10]=[CH:9][CH:8]=[CH:7][C:6]=2[S:1][CH2:2][C:3]1=[O:11]
1
CC1(OC(C(C(O1)=O)C(=O)[C@H]1N(CCC1)C(=O)OC(C)(C)C)=O)C>>C(C)OC(CC(=O)[C@H]1N(CCC1)C(=O)OC(C)(C)C)=O
5
C(C)(C)(C)OC(=O)NC(C)(C(=O)O)C>>C(C)(C)(C)OC(=O)NC(C(=O)OCC)(C)C
5
[CH3:1][N:2]1[C@@H:18]2[CH2:19][C:7]3[CH:8]=[CH:9][C:10]([O:21][CH3:22])=[C:11]4[O:12][C@H:13]5[C@@H:14]([OH:20])[CH:15]=[CH:16][C@@H:17]2[C@:5]5([C:6]=34)[CH2:4][CH2:3]1.C(C1C=CC=CC=1)(=O)C1C=CC=CC=1>[Pd].C1CCCCC1>[CH3:1][N:2]1[C@@H:18]2[CH2:19][C:7]3[CH:8]=[CH:9][C:10]([O:21][CH3:22])=[C:11]4[O:12][C@H:13]5[C:14]([CH...
1
O[C@@H](C(=O)N[C@@H](CC(=O)OC)C=1C=C(C=CC1)C1=C(C=CC=C1)C)CC(C)C>ClCCl.CCN(CC)CC.CS(=O)(=O)Cl>CC(C[C@H](C(=O)N[C@@H](CC(=O)OC)C=1C=C(C=CC1)C1=C(C=CC=C1)C)OS(=O)(=O)C)C
3
CC1=CC=C(C=C1)B(O)O.CC1=CC=C(C=N1)C=1N=C2C(=NC1C=1C=NC(=CC1)C)N(CCC2)CCCCCCC(=O)OCC>>CC1=CC=C(C=N1)C=1N=C2C(=NC1C1=CC=C(C=C1)C)N(CCC2)CCCCCCC(=O)OCC
5
C1(=CC=CC=C1)C/C=C/CO>ClC=1C=C(C(=O)OO)C=CC1>C(C1=CC=CC=C1)[C@H]1[C@@H](O1)CO
3
[F:1][C:2]1[CH:7]=[CH:6][C:5](B(O)O)=[CH:4][C:3]=1[C:11]1[N:12]=[N:13][CH:14]=[CH:15][CH:16]=1.Br[C:18]1[N:22]2[CH:23]=[CH:24][C:25]([C:27]([OH:30])([CH3:29])[CH3:28])=[N:26][C:21]2=[N:20][CH:19]=1>>[F:1][C:2]1[CH:7]=[CH:6][C:5]([C:18]2[N:22]3[CH:23]=[CH:24][C:25]([C:27]([OH:30])([CH3:28])[CH3:29])=[N:26][C:21]3=[N:20]...
1
[Cl:1][C:2]1[CH:7]=[CH:6][N:5]2[N:8]=[CH:9][C:10]([C:11](Cl)=[O:12])=[C:4]2[N:3]=1.[CH:14]1([NH2:20])[CH2:19][CH2:18][CH2:17][CH2:16][CH2:15]1>ClCCl>[Cl:1][C:2]1[CH:7]=[CH:6][N:5]2[N:8]=[CH:9][C:10]([C:11]([NH:20][CH:14]3[CH2:19][CH2:18][CH2:17][CH2:16][CH2:15]3)=[O:12])=[C:4]2[N:3]=1
2
FC1=CC=C2C(=NNC2=C1)N>ClCCl.C(=S)(N1C(C=CC=C1)=O)N1C(C=CC=C1)=O>FC1=CC=C2C(=NNC2=C1)N=C=S
3
CI.FC1=C2C=C(NC2=CC=C1OC)C>C1CCCO1.[H-].[Na+]>CN1C(=CC2=C(C(=CC=C12)OC)F)C
3
N1C[C@H](CC1)O.CC=1C=C(C=CC1OC1=CC2=C(N(C=N2)C)C=C1)NC=1C2=C(N=CN1)C=NC(=N2)S(=O)(=O)C>>CC=1C=C(C=CC1OC1=CC2=C(N(C=N2)C)C=C1)NC1=NC=NC2=C1N=C(N=C2)N2C[C@H](CC2)O
5
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.C(C(C)C)[C@@]1(NS(OC1)(=O)=O)C>C1(=CC=NC=C1)N(C)C.ClCCl>C(C(C)C)[C@@]1(N(S(OC1)(=O)=O)C(=O)OC(C)(C)C)C
3
C(C)(C)(C)OC(N[C@H]1CN(CCC1)C1=C2C(=NC=C1C(F)(F)F)NC=C2NC(=O)C=2C=NN(C2)CC2=CC=C(C=C2)F)=O>CO[H].Cl>N[C@H]1CN(CCC1)C1=C2C(=NC=C1C(F)(F)F)NC=C2NC(=O)C=2C=NN(C2)CC2=CC=C(C=C2)F
3
[N+:1]([C:4]1[C:5]([NH:13][C@H:14]2[CH2:19][CH2:18][C@H:17]([CH2:20]O)[CH2:16][CH2:15]2)=[C:6]2[S:12][CH:11]=[CH:10][C:7]2=[N:8][CH:9]=1)([O-:3])=[O:2].COCCN(CCOC)S(F)(F)[F:28]>C(Cl)Cl>[F:28][CH2:20][C@H:17]1[CH2:18][CH2:19][C@H:14]([NH:13][C:5]2[C:4]([N+:1]([O-:3])=[O:2])=[CH:9][N:8]=[C:7]3[CH:10]=[CH:11][S:12][C:6]=2...
2
ClC1=NC=C(C=C1)C#N.C[C@@H]1NCCNC1>N(C)(C)C=O.CCN(CC)CC.Cl.C(C)N(CC)CC>C[C@H]1CN(CCN1)C1=NC=C(C#N)C=C1
3
[CH2:1]([N:8]1[CH2:12][C@H:11]([CH2:13]OS(C)(=O)=O)[C@@H:10]([OH:19])[CH2:9]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[N-:20]=[N+:21]=[N-:22].[Na+]>CN(C)C=O>[N:20]([CH2:13][C@@H:11]1[C@@H:10]([OH:19])[CH2:9][N:8]([CH2:1][C:2]2[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=2)[CH2:12]1)=[N+:21]=[N-:22]
1
CI.CC1=CC(=CC=2C(C3=CC=CC=C3C12)=O)C(=O)O>>CC1=CC(=CC=2C(C3=CC=CC=C3C12)=O)C(=O)OC
5
OC=1C=C2CC[C@H](C2=CC1)CC(=O)OCC.OCCCOC1=NC=C(C#N)C=C1>C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.C1CCN(CC1)C(=O)N=NC(=O)N2CCCCC2>C(#N)C=1C=CC(=NC1)OCCCOC=1C=C2CC[C@H](C2=CC1)CC(=O)OCC
3
[Br:1][C:2]1[CH:3]=[C:4]([OH:17])[CH:5]=[C:6]([C:8]2[CH:13]=[CH:12][C:11]([N:14]([CH3:16])[CH3:15])=[CH:10][CH:9]=2)[CH:7]=1.C([O:20][C:21](=[O:46])[CH2:22][CH2:23][CH2:24][O:25][C:26]1[CH:31]=[CH:30][CH:29]=[C:28]([CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37]Br)[C:27]=1[CH2:39][CH2:40][C:41]([O:43]CC)=[O:42])C.C(=O...
1
ClC1=CC=NC2=CC(=CC=C12)C(F)(F)F.NC1=CC=C(C(=O)N2CCC(CC2)C(O)C2=CC=C(C=C2)F)C=C1>CCO[H]>Cl.FC1=CC=C(C=C1)C(C1CCN(CC1)C(C1=CC=C(C=C1)NC1=CC=NC2=CC(=CC=C12)C(F)(F)F)=O)O
3
P(=O)(O)([O-])[O-].[Ca+2]>S(O)(O)(=O)=O>O.O.S(=O)(=O)([O-])[O-].[Ca+2]
3
ICCCCC1CN(C1)C(=O)OC(C)(C)C>CS(=O)C.[N-]=[N+]=[N-].[Na+]>N(=[N+]=[N-])CCCCC1CN(C1)C(=O)OC(C)(C)C
3
C(C1=CN=CC=C1)(=O)O.C(C)(C)(C)OC(NC1=C(C=CC=C1)CN1C(C(C=2C=C3C(=CC12)NC(=N3)N)(C)C)=O)=O>>C(C)(C)(C)OC(NC1=C(C=CC=C1)CN1C(C(C=2C=C3C(=CC12)NC(=N3)NC(=O)C=3C=NC=CC3)(C)C)=O)=O
5
BrCC(=O)OCC.C(#N)C1C2=CC=CC=C2CC=2C=CC=CC12>>C(C)OC(CC1(C2=CC=CC=C2CC=2C=CC=CC12)C#N)=O
5
C(CC)N.C(C)N(CCCNC=1N=C(C2=C(N1)N(C(C=C2)=O)C2=C(C=CC=C2F)F)C2=CC=C(C(=O)O)C=C2)CC>N(C)(C)C=O.CCN(CC)CC.CN(C)C(=[N+](C)C)ON1C2=C(C=CC=C2)N=N1.F[P-](F)(F)(F)(F)F>C(C)N(CCCNC=1N=C(C2=C(N1)N(C(C=C2)=O)C2=C(C=CC=C2F)F)C2=CC=C(C(=O)NCCC)C=C2)CC
3
COCCOC(=O)N[C@@H]1CN(CC1)C1=C(C=C(C=C1)N1C(O[C@H](C1)CN(C(=O)OCC(Cl)(Cl)Cl)C1=NOC=C1)=O)F>>COCCOC(=O)N[C@@H]1CN(CC1)C1=C(C=C(C=C1)N1C(O[C@H](C1)CNC1=NOC=C1)=O)F
5
[CH3:1][O:2][C:3]1[CH:12]=[C:11]2[C:6]([N:7]=[CH:8][C:9](=[O:13])[NH:10]2)=[CH:5][CH:4]=1.[H-].[Na+].CS(O[CH2:21][CH2:22][N:23]1[CH2:28][CH2:27][CH:26]([NH:29][C:30]([O:32][C:33]([CH3:36])([CH3:35])[CH3:34])=[O:31])[CH2:25][CH2:24]1)(=O)=O.COC1C=C2C(C=CC(=O)N2CCN2CCC(NC(=O)OC(C)(C)C)CC2)=CC=1>CC(C)=O>[CH3:1][O:2][C:3]1...
2
Cl[C:2]1[CH:11]=[CH:10][C:5]([C:6]([O:8][CH3:9])=[O:7])=[CH:4][N:3]=1.[NH:12]1[CH2:17][CH2:16][S:15](=[O:19])(=[O:18])[CH2:14][CH2:13]1.C(=O)([O-])[O-].[Na+].[Na+].O>CN1C(=O)CCC1>[CH3:9][O:8][C:6](=[O:7])[C:5]1[CH:10]=[CH:11][C:2]([N:12]2[CH2:17][CH2:16][S:15](=[O:19])(=[O:18])[CH2:14][CH2:13]2)=[N:3][CH:4]=1
1
[NH2:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[N:8]([O-])=O.[Na+].[CH3:12][C:13]1[CH:18]=[CH:17][C:16]([SH:19])=[CH:15][CH:14]=1>Cl.O.[OH-].[Na+]>[C:2]1([N:1]=[N:8][C:15]2[CH:14]=[C:13]([CH3:12])[CH:18]=[CH:17][C:16]=2[SH:19])[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1
1
Cl.[F:2][C:3]1[CH:8]=[C:7]([S:9]([CH3:12])(=[O:11])=[O:10])[CH:6]=[CH:5][C:4]=1[NH:13][C@H:14]1[CH2:19][CH2:18][CH2:17][N:16]([CH:20]2[CH2:25][CH2:24][NH:23][CH2:22][CH2:21]2)[C:15]1=[O:26].[OH-].[K+].Cl[C:30]1[C:35]([CH3:36])=[CH:34][C:33]([CH2:37][CH3:38])=[CH:32][N:31]=1.C1(P(C2CCCCC2)C2C=CC=CC=2C2C(N(C)C)=CC=CC=2)C...
1
CO[CH:3]=[CH:4][C:5](=[O:7])[CH3:6].[Cl:8][C:9]1[CH:16]=[CH:15][CH:14]=[CH:13][C:10]=1[CH2:11][NH2:12]>C(Cl)Cl>[Cl:8][C:9]1[CH:16]=[CH:15][CH:14]=[CH:13][C:10]=1[CH2:11][NH:12][CH:3]=[CH:4][C:5](=[O:7])[CH3:6]
1
COC(C(C)([C@@H]1CC[C@H](CC1)OS(=O)(=O)C1=CC=C(C=C1)C)C)=O>CNC>COC(C(C)(C)[C@@H]1CC[C@@H](CC1)N(C)C)=O
3
[CH2:1]([NH:4][C:5](=[S:13])[CH2:6][C:7]1[CH:12]=[CH:11][CH:10]=[CH:9][N:8]=1)[CH:2]=[CH2:3].[ClH:14]>CCOCC>[ClH:14].[CH2:1]([NH:4][C:5](=[S:13])[CH2:6][C:7]1[CH:12]=[CH:11][CH:10]=[CH:9][N:8]=1)[CH:2]=[CH2:3]
1
C(OC)(OC)OC.ClC1=CC(=C(C=C1)C(C)=O)F>>ClC1=CC(=C(C=C1)C(C)(OC)OC)F
5
[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][C@@H:8]([OH:13])[CH2:9][C:10]([OH:12])=[O:11].C(O)(C(F)(F)F)=O.C=C[C@@H]1[C@@H]2C[C@@H]([C@H](O)C3C4C(=CC=CC=4)N=CC=3)N(CC2)C1>CN(C=O)C>[OH:13][CH:8]([CH2:7][CH2:6][CH2:5][CH2:4][CH2:3][CH2:2][CH3:1])[CH2:9][C:10]([OH:12])=[O:11]
1
Cl.N[C@@H](CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C.CC=1C(=CC2=C(N=C3C(NC(N=C3N2CC=O)=O)=O)C1)C>>C(C)(C)(C)OC(C(CCC(=O)OC(C)(C)C)NCCN1C2=C(N=C3C(NC(N=C13)=O)=O)C=C(C(=C2)C)C)=O
5
[CH2:1]([O:3][C@H:4]([C:17]([O:19][CH2:20][CH3:21])=[O:18])[CH2:5][C:6]1[CH:16]=[CH:15][C:9]([O:10][CH2:11][C:12]([OH:14])=O)=[CH:8][CH:7]=1)[CH3:2].[CH2:22]([NH:29][CH2:30][C:31]1[N:32]([CH3:40])[C:33]2[C:38]([CH:39]=1)=[CH:37][CH:36]=[CH:35][CH:34]=2)[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH3:28].Cl.C(N=C=NCCCN(C)C...
2
N1=C(N=CC=C1)C(=O)O.NC=1SC=C(N1)C=1C=C2CCC(NC2=CC1)=O>CC#N.c1ccncc1.CCCP1(=O)OP(=O)(OP(=O)(O1)CCC)CCC>O=C1NC2=CC=C(C=C2CC1)C=1N=C(SC1)NC(=O)C1=NC=CC=N1
3
C(=O)([O-])[O-].[K+].[K+].C([O:10][CH2:11][CH2:12][O:13][C:14]1[C:18]([C:19]2[CH:27]=[CH:26][C:22]3[O:23][CH2:24][O:25][C:21]=3[CH:20]=2)=[C:17]([N:28](S(C2C=CC(C(C)(C)C(OCC)=O)=CC=2)(=O)=O)[S:29]([C:32]2[CH:37]=[CH:36][C:35]([C:38]([CH3:45])([CH3:44])[C:39]([O:41][CH2:42][CH3:43])=[O:40])=[CH:34][CH:33]=2)(=[O:31])=[O...
1
[NH2:1][C:2]1[CH:23]=[CH:22][C:5]([O:6][C:7]2[CH:8]=[CH:9][C:10]3[N:11]([CH:13]=[C:14]([NH:16][C:17]([CH:19]4[CH2:21][CH2:20]4)=[O:18])[N:15]=3)[CH:12]=2)=[C:4](F)[CH:3]=1.[F:25][C:26]1[CH:31]=[CH:30][C:29]([C:32]2[C:33]([CH3:42])=[CH:34][CH:35]=[C:36]([C:39](O)=[O:40])[N+:37]=2[O-:38])=[CH:28][CH:27]=1.CN(C(ON1N=NC2C=...
1
FC=1C=CC(=C(C1)C1=C2C(=NC=C1)N(C(=C2)C2=CC1C(CN(C1)C(=O)OC(C)(C)C)C2)S(=O)(=O)C2=CC=CC=C2)OC>C1CCCO1.CO[H].[OH-].[Na+]>FC=1C=CC(=C(C1)C1=C2C(=NC=C1)NC(=C2)C2=CC1C(CN(C1)C(=O)OC(C)(C)C)C2)OC
3
C(C)(=O)OC(C)=O.NC1=C(C=C(C#N)C=C1)OC>>C(#N)C1=CC(=C(C=C1)NC=O)OC
5
C[N:2]([CH3:15])/[CH:3]=[CH:4]/[C:5]1[CH:12]=[C:11]([C:13]#[N:14])[CH:10]=[CH:9][C:6]=1[C:7]#[N:8].[CH3:16][O:17][C:18]1[CH:25]=[C:24]([O:26][CH3:27])[CH:23]=[CH:22][C:19]=1CN.CN1C(=O)N(C)CCC1>CCOC(C)=O.CCCCCC>[CH3:16][O:17][C:18]1[CH:25]=[C:24]([O:26][CH3:27])[CH:23]=[CH:22][C:19]=1[CH2:15][N:2]1[CH:3]=[CH:4][C:5]2[C:...
1
BrC1=C(C=C(C=C1)[C@@]1(CN2[C@H](CO1)CN(CC2)C(=O)OC(C)(C)C)O)Cl>ClCCl.C(=O)(C(F)(F)F)O.Cl.C(C)[SiH](CC)CC>BrC1=C(C=C(C=C1)[C@@H]1CN2[C@H](CO1)CNCC2)Cl
3
BrC(C)C.C(C)(C)(C)OC(=O)N1N=C(C=2C1=NC(=NC2)OC2=C(C=C(C=C2)F)F)O>>C(C)(C)(C)OC(=O)N1N=C(C=2C1=NC(=NC2)OC2=C(C=C(C=C2)F)F)OC(C)C
5
ClC1=NC2=C(N1)C=C(C(=C2)F)F.Cl.C1(=CC=CC=C1)N1C(=NC2=C(C1=O)CNCC2)SCC2=CC=CC=C2>CC#N.C(C)(C)N(C(C)C)CC>FC1=CC2=C(NC(=N2)N2CC3=C(N=C(N(C3=O)C3=CC=CC=C3)SCC3=CC=CC=C3)CC2)C=C1F
3
N1N=CC2=CC=CC=C12.ClC1=NC(=CC(=N1)NC1=CC=C(C=C1)Cl)C>CC#N>ClC1=CC=C(C=C1)NC1=NC(=NC(=C1)C)N1N=C2C=CC=CC2=C1.ClC1=CC=C(C=C1)NC1=NC(=NC(=C1)C)N1N=CC2=CC=CC=C12
3
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]2[C:12]([CH3:13])=[C:11]([C:14](Cl)=[O:15])[CH:10]=[N:9]2)=[CH:4][CH:3]=1.[CH3:17][C:18]1[CH:19]=[C:20]([CH:22]=[CH:23][C:24]=1[N:25]1[CH2:30][CH2:29][CH:28]([N:31]2[CH2:36][CH2:35][O:34][CH2:33][CH2:32]2)[CH2:27][CH2:26]1)[NH2:21]>>[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]2[C:12]([CH3:13...
1
Cl[C:2]1[C:11]([N:12]([CH:14]([CH3:16])[CH3:15])[CH3:13])=[N:10][C:9]2[C:4](=[CH:5][CH:6]=[C:7]([C:17]([O:19]C)=[O:18])[CH:8]=2)[N:3]=1.[C:21]([C:23]1[CH:28]=[CH:27][C:26](B(O)O)=[CH:25][CH:24]=1)#[N:22].[O-]P([O-])([O-])=O.[K+].[K+].[K+]>Cl[Pd](Cl)([P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)[P](C1C=CC=CC=1)(C1C=CC=CC=1)...
2
Cl.[CH:2]1([NH:8][OH:9])[CH2:7][CH2:6][CH2:5][CH2:4][CH2:3]1.[CH3:10][S:11][C:12]1[CH:13]=[C:14]([N:18]=[C:19]=[O:20])[CH:15]=[CH:16][CH:17]=1>>[CH:2]1([N:8]([OH:9])[C:19]([NH:18][C:14]2[CH:15]=[CH:16][CH:17]=[C:12]([S:11][CH3:10])[CH:13]=2)=[O:20])[CH2:7][CH2:6][CH2:5][CH2:4][CH2:3]1
1
[C:1]([C:4]1[CH:5]=[C:6]([S:10]([NH2:13])(=[O:12])=[O:11])[CH:7]=[CH:8][CH:9]=1)([OH:3])=O.FC(F)(F)C(O)=O.[NH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH:27]=[CH2:28].CCN(C(C)C)C(C)C.CN(C(ON1N=NC2C=CC=CC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F>CN(C=O)C>[CH2:22]([NH:21][C:1](=[O:3])[C:4]1[CH:9]=[CH:8][CH:7]=[C:6]([S:10](=...
2
[N-]=[N+]=C.OC(CCC(=O)O)C>>COC(CCC(C)O)=O
5
[NH:1]1[C:5]([CH2:6][CH2:7][NH:8][C:9]([C:11]2[CH:24]=[C:23]([O:25]C)[C:14]3[NH:15][C:16]([C:18]4[S:19][CH:20]=[CH:21][CH:22]=4)=[N:17][C:13]=3[CH:12]=2)=[O:10])=[CH:4][N:3]=[CH:2]1.B(Br)(Br)Br>>[NH:1]1[C:5]([CH2:6][CH2:7][NH:8][C:9]([C:11]2[CH:24]=[C:23]([OH:25])[C:14]3[NH:15][C:16]([C:18]4[S:19][CH:20]=[CH:21][CH:22]...
2
[Cl:1][CH2:2][C:3](Cl)=[O:4].[Cl-].[Al+3].[Cl-].[Cl-].[S:10]1[CH:14]=[CH:13][N:12]2[CH:15]=[N:16][CH:17]=[C:11]12.O>ClCCCl>[Cl:1][CH2:2][C:3]([C:17]1[N:16]=[CH:15][N:12]2[CH:13]=[CH:14][S:10][C:11]=12)=[O:4]
1
[Cl:1][C:2]1[CH:11]=[CH:10][C:5]([O:6][CH2:7][C:8]#[N:9])=[CH:4][CH:3]=1.C[O-].[Na+].Cl.Cl.[NH2:17][C:18]1[C:23](N)=[CH:22][CH:21]=[CH:20][C:19]=1[OH:25]>CO>[OH:25][C:19]1[C:18]2[NH:17][C:8]([CH2:7][O:6][C:5]3[CH:10]=[CH:11][C:2]([Cl:1])=[CH:3][CH:4]=3)=[N:9][C:23]=2[CH:22]=[CH:21][CH:20]=1
1
C(CO)O.BrCCCCCCCCC=O>C1(=CC=CC=C1)C.C1(=CC=C(C=C1)S(=O)(=O)O)C>BrCCCCCCCCC1OCCO1
3
[O:1]1[CH2:6][CH2:5][N:4]([C:7]2[N:8]([CH2:24][CH3:25])[C:9]3[C:14]([C:15](=[O:20])[C:16]=2[C:17]([NH2:19])=[O:18])=[CH:13][C:12]([N+:21]([O-])=O)=[CH:11][N:10]=3)[CH2:3][CH2:2]1>CN(C)C=O.C(O)C.[Ni]>[O:1]1[CH2:6][CH2:5][N:4]([C:7]2[N:8]([CH2:24][CH3:25])[C:9]3[C:14]([C:15](=[O:20])[C:16]=2[C:17]([NH2:19])=[O:18])=[CH:1...
2
S1C(=NC2=C1C=CC=C2)N2N=C(C(C2=O)=CN(C)C)C2=CC(=CC=C2)OC>>NC=C1C(N(N=C1C1=CC(=CC=C1)OC)C=1SC2=C(N1)C=CC=C2)=O
5
C(C1=CC=CC=C1)(=O)N=C=S.BrC1=C(NN=C1C1=CC(=CC=C1)Cl)N>O1CCOCC1>ClC=1C=C(C=CC1)C1=NNC=2N=C(SC21)NC(C2=CC=CC=C2)=O
3
OC=1C=C(C(=O)OC)C=C(C1)O.CC1=C(CBr)C=CC=C1>>OC=1C=C(C(=O)OC)C=C(C1)OCC1=C(C=CC=C1)C
5
C(C)(C)(C)[Si](C)(C)OC/C(=C\C1=C(C=C(C(=C1)OC)CCCCC)OC)/[N+](=O)[O-]>O.C1CCCO1.[OH-].[Na+].[H-].[Al+3].[Li+].[H-].[H-].[H-]>NC(CO)CC1=C(C=C(C(=C1)OC)CCCCC)OC
3
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[O:9][C:10]3[C:11](=[C:13]([C:17]([OH:19])=O)[CH:14]=[CH:15][CH:16]=3)[N:12]=2)=[CH:4][CH:3]=1.O[N:21]1C2C=CC=CC=2N=N1.C(N=C=NCCCN(C)C)C.[OH-].[NH4+]>CN(C)C=O.O>[Br:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[O:9][C:10]3[C:11](=[C:13]([C:17]([NH2:21])=[O:19])[CH:14]=[CH:15][CH:16]=3)[N:12]=2)...
2
[N+](=O)([O-])C.Cl.CN.ClC1=CC(=C(C=C1)C=O)OC>>ClC1=CC(=C(C=C1)\C=C\[N+](=O)[O-])OC
5
C(OCC1CSC2N(C(=O)C2NC(=O)CC2N=C(C3C=CC=CC=3O)SC=2)C=1C(O)=O)(=O)C.C1(C([O:47][C:48]([C:50]2[N:51]3[CH:54]([S:55][CH2:56][C:57]=2[Cl:58])[CH:53]([NH:59][C:60](=[O:74])[CH2:61][C:62]2[N:63]=[C:64]([C:67]4[C:72]([OH:73])=[CH:71][CH:70]=[CH:69][N:68]=4)[S:65][CH:66]=2)[C:52]3=[O:75])=[O:49])C2C=CC=CC=2)C=CC=CC=1.[SiH](CC)(...
1
[C:1]1([CH2:7][O:8][C:9]([NH:11][C@H:12]([C:14]([OH:16])=O)[CH3:13])=[O:10])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[CH3:17][NH:18][CH3:19].CN(C1C=CC=CN=1)C.Cl.C(N=C=NCCCN(C)C)C>ClCCl>[CH3:17][N:18]([CH3:19])[C:14](=[O:16])[C@@H:12]([NH:11][C:9](=[O:10])[O:8][CH2:7][C:1]1[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1)[CH3:13]
2
[NH2:1][C:2]1[C:10]([Br:11])=[CH:9][C:8]([CH3:12])=[CH:7][C:3]=1[C:4]([OH:6])=[O:5].S(Cl)(Cl)=O.[CH2:17](O)[CH3:18]>>[NH2:1][C:2]1[C:10]([Br:11])=[CH:9][C:8]([CH3:12])=[CH:7][C:3]=1[C:4]([O:6][CH2:17][CH3:18])=[O:5]
1
BrC1=CC(=C(C=C1)C1OC12C(OC(C2=O)(C)C)(C)C)C>>BrC1=CC(=C(C=C1)C1C(C(OC(C1=O)(C)C)(C)C)=O)C
5
C(=C)OCC.C(C)(=O)OC\1C(CCC(CC(=O)OC(C(/C=C1)C)\C(=C\C=C\C(CC1C(C(C(CC)O)C)O1)C)\C)O[Si](C)(C)C(C)(C)C)(C)O>ClCCl.C1(=CC=C(C=C1)S(=O)(=O)[O-])C.[NH+]1=CC=CC=C1>C(C)(=O)OC\1C(CCC(CC(=O)OC(C(/C=C1)C)\C(=C\C=C\C(CC1C(C(C(CC)OC(C)OCC)C)O1)C)\C)O[Si](C)(C)C(C)(C)C)(C)OC(C)OCC
3
[F:1][C:2]1[CH:7]=[C:6](Br)[CH:5]=[CH:4][C:3]=1[C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=1.[C:15]([O:19][CH2:20][CH3:21])(=[O:18])[CH:16]=[CH2:17].C1(C)C=CC=CC=1P(C1C=CC=CC=1C)C1C=CC=CC=1C.C(N(CC)CC)C>ClCCl.CC([O-])=O.CC([O-])=O.[Pd+2]>[CH2:20]([O:19][C:15](=[O:18])[CH:16]=[CH:17][C:6]1[CH:5]=[CH:4][C:3]([C:9]2[CH:14...
1
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[C:9]([C:14]([O:16]C)=[O:15])=[N:10][CH:11]=[CH:12][CH:13]=2)=[CH:4][C:3]=1[C:18]([NH:20][CH2:21][CH2:22][CH:23]1[CH2:28][CH2:27][CH2:26][CH2:25][CH2:24]1)=[O:19].[OH-].[K+].O.CO>O1CCCC1>[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[C:9]([C:14]([OH:16])=[O:15])=[N:10][CH:11]=[CH:12][CH:13]=...
2
ClC1C=CC=C(C(OO)=[O:9])C=1.[CH3:12][O:13][C:14]1[CH:15]=[C:16]([N:22]2[CH2:27][CH2:26][N:25]([C:28]([C:30]3[N:31]=[C:32]([S:41][CH3:42])[NH:33][C:34]=3[C:35]3[CH:40]=[CH:39][CH:38]=[CH:37][CH:36]=3)=[O:29])[CH2:24][CH2:23]2)[CH:17]=[C:18]([O:20][CH3:21])[CH:19]=1>ClCCl>[CH3:12][O:13][C:14]1[CH:15]=[C:16]([N:22]2[CH2:23...
2
COC(=O)C1=CC2=C(SC(=C2)C(=O)O)C=C1>>COC(=O)C1=CC2=C(SC(=C2)C(NOC2OCCCC2)=O)C=C1
5
C(#N)\C(=C/C1=CC=C(S1)N1CCC(CC1)OC(CN1CCCC1)=O)\C1=CC(=C(C=C1)OC)OC>C(C)OCC.CO[H].O=S(=O)(O)C.CC(C)O>CS(=O)(=O)O.C(#N)\C(=C/C1=CC=C(S1)N1CCC(CC1)OC(CN1CCCC1)=O)\C1=CC(=C(C=C1)OC)OC
3
BrC=C(C)C1=CC(=C(C=C1)F)F.CN1CCC=2NC=3C=CC(=CC3C2CC1)C>[Cu]I.N(C)(C)C=O.N1[C@H](C(=O)O)CCC1.P(=O)([O-])([O-])[O-].[K+].[K+].[K+]>FC=1C=C(C=CC1F)/C(=C/N1C2=C(C=3C=C(C=CC13)C)CCN(CC2)C)/C
3
[CH3:1][C:2]1([CH3:20])[C:10]2[C:5](=[CH:6][CH:7]=[C:8]([C:11]3[N:15]([CH3:16])[C:14]([C:17]#[N:18])=[CH:13][CH:12]=3)[CH:9]=2)[C:4](=[O:19])[CH2:3]1.[CH3:21][Mg]Br>C1COCC1>[OH:19][C:4]1([CH3:21])[C:5]2[C:10](=[CH:9][C:8]([C:11]3[N:15]([CH3:16])[C:14]([C:17]#[N:18])=[CH:13][CH:12]=3)=[CH:7][CH:6]=2)[C:2]([CH3:20])([CH3...
2
C(C)(C)OC(=O)N1CCC(CC1)C(C)OC1=NC=C(C=C1)B1OC(C(O1)(C)C)(C)C.C(C)(C)(C)OC(=O)N[C@@H](CC1=C(C=C(C=C1)OS(=O)(=O)C(F)(F)F)F)C(=O)N1[C@@H](CCC1)C#N>N(C)(C)C=O.O.CCN(CC)CC.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)(C)OC(=O)N1CCC(CC1)[C@H](C)OC1=NC=C(C=C1)C1=CC(=C(C=C...
3
C1(CCCCC1)C=O.C(C)(C)C1=C(C=CC=C1)C1N(C(CNC1)=O)C1CC2(C1)CCN(CC2)C(=O)OC(C)(C)C>ClCCl.C(C)(=O)O.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+].[Cl-].[NH4+]>C1(CCCCC1)CN1CC(N(C(C1)=O)C1CC2(C1)CCN(CC2)C(=O)OC(C)(C)C)C2=C(C=CC=C2)C(C)C
3
ClC(C1=CC=C(C#N)C=C1)N=C=O.CN1C(C=C(CC1)NC1=CC(=CC=C1)C(F)(F)F)=O>ClCCl>CN1C(C2=C(N(C(NC2C2=CC=C(C#N)C=C2)=O)C2=CC(=CC=C2)C(F)(F)F)CC1)=O
3
[CH2:1]([O:8][C:9]([NH:11][C@@H:12]1[C:15](=[O:16])[NH:14][C@@H:13]1[CH2:17][N:18]1[C:22](=[O:23])[CH2:21][N:20]([C:24]([O:26][C:27]([CH3:30])([CH3:29])[CH3:28])=[O:25])[C:19]1=[O:31])=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[BH4-].[Na+]>CCO>[CH2:1]([O:8][C:9]([NH:11][C@@H:12]1[C:15](=[O:16])[NH:14][C@@H:13]1[C...
1
C([C@@H](O)C1=CC=CC=C1)(=O)O.IC=1C=C(C=C(C1)C)C>[Cu]I.C([O-])([O-])=O.[K+].[K+].CN(C(C)=O)C.CCCCCCCCCCCC>CC=1C=C(C=C(C1)C)OC([C@@H](O)C1=CC=CC=C1)=O
3
ClC(C=1N=NC(=CC1)OCC)C1=C(C=CC(=C1)C1O[C@@H]([C@H]([C@@H]([C@H]1OCC1=CC=CC=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1)COCC1=CC=CC=C1)Cl>C1(=CC=CC=C1)C.CC(C)(C#N)/N=N/C(C)(C)C#N.C(CCC)[SnH](CCCC)CCCC>ClC1=C(CC=2N=NC(=CC2)OCC)C=C(C=C1)C1O[C@@H]([C@H]([C@@H]([C@H]1OCC1=CC=CC=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1)COCC1=CC=CC=C1
3
O=C1COC2(CCN(CC2)C(=O)OC(C)(C)C)CCN1>C1CCCO1.CO[H].ClCCl.CSC.B>C1CN(CCC12OCCNCC2)C(=O)OC(C)(C)C
3
[NH2:1][C:2]1[S:3][CH:4]=[C:5]([CH2:7][C:8]([O:10][CH2:11][CH3:12])=[O:9])[N:6]=1.[Cl:13][C:14]1[CH:15]=[C:16]([S:21](Cl)(=[O:23])=[O:22])[CH:17]=[CH:18][C:19]=1[Cl:20]>>[Cl:13][C:14]1[CH:15]=[C:16]([S:21]([NH:1][C:2]2[S:3][CH:4]=[C:5]([CH2:7][C:8]([O:10][CH2:11][CH3:12])=[O:9])[N:6]=2)(=[O:22])=[O:23])[CH:17]=[CH:18][...
1
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([CH2:9][CH2:10][NH2:11])=[CH:5][CH:4]=1.[CH3:12][O:13][C:14]1[CH:19]=[CH:18][C:17]([S:20](Cl)(=[O:22])=[O:21])=[CH:16][CH:15]=1>>[CH3:12][O:13][C:14]1[CH:15]=[CH:16][C:17]([S:20]([NH:11][CH2:10][CH2:9][C:6]2[CH:7]=[CH:8][C:3]([O:2][CH3:1])=[CH:4][CH:5]=2)(=[O:22])=[O:21])=[CH:18][CH...
2
C[C@@H](C(C)(C)C)N.BrC=1N=C2C(=NC1)N(C=C2C(=O)O)COCC[Si](C)(C)C>>C[C@@H](C(C)(C)C)NC(=O)C1=CN(C2=NC=C(N=C21)Br)COCC[Si](C)(C)C
5
FC1(CC(C1)OC1=CC(=NC(=C1)C)CC(=O)OCC)F>C(C)OCC.CO[H].N>FC1(CC(C1)OC1=CC(=NC(=C1)C)CC(=O)N)F
3
[C:1](Cl)(=[O:9])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH3:8].[SH:11][CH2:12][CH2:13][CH2:14][SiH2:15][CH:16]([O:19][CH3:20])[O:17][CH3:18].C(N(CC)CC)C>C1CCCCC1>[C:1]([S:11][CH2:12][CH2:13][CH2:14][SiH2:15][CH:16]([O:19][CH3:20])[O:17][CH3:18])(=[O:9])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH3:8]
1
C1(CC1)C#N.FC1=C(C(=O)O)C=CC(=C1F)C(F)(F)F>C1CCCO1.C[Si](C)(C)[N-][Si](C)(C)C.[K+]>C(#N)C1(CC1)C1=C(C(=O)O)C=CC(=C1F)C(F)(F)F
3
ClC(Cl)(OC(OC(Cl)(Cl)Cl)=O)Cl.C1(CC1)NCC1OCCCC1>C1CCCO1.C1(=CC=NC=C1)N(C)C.CCN(CC)CC>C1(CC1)N(C(=O)Cl)CC1OCCCC1
3
N(CCC(=O)O)C(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12.NC=1C(=C2C(=NC1)N(C=C2)S(=O)(=O)C2=CC=CC=C2)NC2CCN(CC2)CCC#N>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>C1=CC=CC=2C3=CC=CC=C3C(C12)COC(NCCC(NC=1C(=C2C(=NC1)N(C=C2)S(=O)(=O)C2=CC=CC=C2)NC2CCN(CC2)CCC#N)=O)=O
3
CN(C(=O)NC1=NC=CC(=C1)OC=1C=NC(=CC1)[N+](=O)[O-])C>CO[H].[Zn].[Cl-].[NH4+]>NC1=CC=C(C=N1)OC1=CC(=NC=C1)NC(N(C)C)=O
3
COC1=C(C(NC(=C1)C)=O)CNC(=O)C1=C(N(C2=CC=CC=C12)C(C)C1CCN(CC1)C(=O)OC(C)(C)C)C>CO[H].Cl>Cl.COC1=C(C(NC(=C1)C)=O)CNC(=O)C1=C(N(C2=CC=CC=C12)C(C)C1CCNCC1)C
3
C(#N)C1=CC=C(C=C1)B(O)O.ClC1=CC=C(C=N1)CN(C1CCN(CC1)C(=O)OC(C)(C)C)C>>C(#N)C1=CC=C(C=C1)C1=CC=C(C=N1)CN(C1CCN(CC1)C(=O)OC(C)(C)C)C
5
CI.ClC1=CC=C(CNC(=O)C=2C=NC3=C(C=C(C=C3C2O)CC2CCOCC2)I)C=C1>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>ClC1=CC=C(CNC(=O)C2=CN(C3=C(C=C(C=C3C2=O)CC2CCOCC2)I)C)C=C1
3
C(C)(C)(C)C1=C(C=CC=C1)N1CCN(CC1)C(CSC1=C(C(=NN1C)C)C=O)=O>>C(C)(C)(C)C1=C(C=CC=C1)N1CCN(CC1)C(CSC1=C(C(=NN1C)C)C(=O)O)=O
5
[Cl:1][C:2]1[CH:10]=[C:9]2[C:5]([C:6]([CH:11]=[O:12])=[CH:7][NH:8]2)=[CH:4][C:3]=1[C:13]1[CH:18]=[CH:17][C:16]([CH:19]([CH3:21])[CH3:20])=[CH:15][CH:14]=1.C(#N)C.[Mn]([O-])(=O)(=O)=[O:26].[K+].S(=O)(O)[O-].[Na+]>O>[Cl:1][C:2]1[CH:10]=[C:9]2[C:5]([C:6]([C:11]([OH:26])=[O:12])=[CH:7][NH:8]2)=[CH:4][C:3]=1[C:13]1[CH:18]=[...
1
[C:1]([CH:4]1[CH2:9][CH2:8][C:7](=[O:10])[CH2:6][CH2:5]1)([CH3:3])=[CH2:2].[CH2:11]([Zn]CC)C.ICI.[NH4+].[Cl-]>CCCCCC>[CH3:2][C:1]1([CH:4]2[CH2:9][CH2:8][C:7](=[O:10])[CH2:6][CH2:5]2)[CH2:11][CH2:3]1
1