Datasets:
Derify
/
ReactionSmiles

Dataset card Data Studio Files
xet
 Community
1
smiles
stringlengths
15
6.12k
source_id
int64
1
5
C([C:8]1[C:9](=[O:15])[CH:10](Br)[CH:11]=[CH:12][CH:13]=1)C1C=CC=CC=1.[CH2:16]([Li])[CH2:17][CH2:18][CH3:19].C([O:24][B:25](OC(C)C)[O:26]C(C)C)(C)C.Cl.[CH2:35]1[CH2:39]OC[CH2:36]1>>[CH2:19]([O:15][C:9]1[CH:10]=[C:11]([B:25]([OH:26])[OH:24])[CH:12]=[CH:13][CH:8]=1)[C:18]1[CH:39]=[CH:35][CH:36]=[CH:16][CH:17]=1
1
C(C1=CC=CC=C1)N1C[C@H](CC1)[C@H](CC(C)C)OC=1C(=NC(=CC1)Cl)C>>C(C1=CC=CC=C1)N1C[C@H](CC1)[C@H](CC(C)C)OC=1C(=NC(=CC1)OC)C
5
COC1=CC=C(N=N1)C1=CC(=NN1C=1C=NC=CC1)C(=O)OC>O.C1CCCO1.CO[H].O[Li].O>OC1(CC(=NN1C=1C=NC=CC1)C(=O)OC)C=1N=NC(=CC1)OC
3
Cl.[N:2]1[CH:7]=[CH:6][CH:5]=[C:4]([S:8](Cl)(=[O:10])=[O:9])[CH:3]=1.[NH2:12][C:13]1[CH:14]=[CH:15][CH:16]=[C:17]2[C:22]=1[N:21]=[C:20]([C:23]1[CH:28]=[CH:27][CH:26]=[C:25](C(F)(F)F)[CH:24]=1)[N:19]([CH3:33])[C:18]2=[O:34]>N1C=CC=CC=1>[CH3:33][N:19]1[C:18](=[O:34])[C:17]2[C:22](=[C:13]([NH:12][S:8]([C:4]3[CH:3]=[N:2][C...
1
[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[C@@H:8]1[N:12]([C:13]([C:15]2[C:16]([C:21]3[CH:26]=[CH:25][CH:24]=[C:23]([C:27]#[N:28])[CH:22]=3)=[CH:17][CH:18]=[CH:19][CH:20]=2)=[O:14])[C@H:11]([C:29]([O:31][CH3:32])=[O:30])[CH2:10][CH2:9]1.Cl.[NH2:34][OH:35].CCN(CC)CC>CCO>[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[C...
2
C(C=C)Br.FC(C(C(F)(F)F)(C(F)(F)F)[O-])(F)F.[Na+]>>FC(C(C(F)(F)F)(OCC=C)C(F)(F)F)(F)F
5
Br[C:2]1[CH:3]=[C:4]([CH:16]=[C:17]([N:19]2[CH2:23][CH2:22][CH2:21][C@@H:20]2[CH2:24][OH:25])[CH:18]=1)[C:5]([NH:7][CH2:8][C:9]1[CH:10]=[N:11][C:12]([CH3:15])=[CH:13][CH:14]=1)=[O:6].B(O)(O)[C:27]1[CH:28]=[CH:29][C:30]([CH3:33])=[CH:31][CH:32]=1.C1(C)C=CC=CC=1.C(=O)([O-])[O-].[Cs+].[Cs+].O>C1C=CC([P]([Pd]([P](C2C=CC=CC...
1
C([O:4][C:5]1[CH:6]=[C:7]([CH:15]([CH3:21])[C:16]([O:18]CC)=O)[CH:8]=[CH:9][C:10]=1[O:11]C(=O)C)(=O)C.[CH2:22]([NH2:40])[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH3:39]>>[CH2:22]([NH:40][C:16](=[O:18])[CH:15]([C:7]1[CH:8]=[CH:9][C:1...
1
C(C)(C)(C)OC(=O)N1CCN(CC1)C=1N=NC(=C(C1)C1=CC=C(C=C1)C1=CC=C(C=C1)F)C(F)(F)F>>FC1=CC=C(C=C1)C1=CC=C(C=C1)C1=C(N=NC(=C1)N1CCNCC1)C(F)(F)F
5
Cl[C:2]1[N:7]=[CH:6][C:5]([CH2:8][N:9]2[CH:14]=[C:13]([C:15]3[CH:20]=[CH:19][C:18]([O:21][CH3:22])=[CH:17][CH:16]=3)[CH:12]=[CH:11][C:10]2=[O:23])=[CH:4][CH:3]=1.C[Si](Cl)(C)C.[Na+].[I-:30]>C(#N)CC>[I:30][C:2]1[N:7]=[CH:6][C:5]([CH2:8][N:9]2[CH:14]=[C:13]([C:15]3[CH:20]=[CH:19][C:18]([O:21][CH3:22])=[CH:17][CH:16]=3)[C...
1
CC(C)(C)C1=NN(C(=C1)C(=O)OCC)CC>[OH-].[Li+].O1CCOCC1.O.CCO>CC(C)(C)C1=NN(C(=C1)C(=O)O)CC
3
ClC=1N=C(C2=C(N1)CCC2)Cl>>ClC=1N=C(C2=C(N1)CCC2)C2=CC=CC=C2
5
CS(=O)(=O)OCC1=CC(=CC(=C1)C(F)(F)F)[N+](=O)[O-]>CC#N.C(=O)([O-])[O-].[Cs+].[Cs+].CNC>CN(CC1=CC(=CC(=C1)C(F)(F)F)[N+](=O)[O-])C
3
[F:1][C:2]1[CH:7]=[C:6]([F:8])[CH:5]=[CH:4][C:3]=1[CH:9]([OH:27])[CH:10]([CH2:16][C:17]1[CH:22]=[CH:21][C:20]([C:23]([F:26])([F:25])[F:24])=[CH:19][CH:18]=1)[C:11]([O:13]CC)=[O:12].[OH-].[Na+].Cl>CO>[F:1][C:2]1[CH:7]=[C:6]([F:8])[CH:5]=[CH:4][C:3]=1[CH:9]([OH:27])[CH:10]([CH2:16][C:17]1[CH:22]=[CH:21][C:20]([C:23]([F:2...
1
[C:1]([O:4][C:5]1[CH:6]=[C:7]2[C:12](=[CH:13][C:14]=1[O:15][C:16](=[O:18])[CH3:17])[N:11]([CH3:19])[C:10](=[O:20])[C:9]([C:21]([OH:23])=O)=[CH:8]2)(=[O:3])[CH3:2].S(Cl)([Cl:26])=O>CN(C)C=O.C1C=CC=CC=1>[C:1]([O:4][C:5]1[CH:6]=[C:7]2[C:12](=[CH:13][C:14]=1[O:15][C:16](=[O:18])[CH3:17])[N:11]([CH3:19])[C:10](=[O:20])[C:9]...
1
C(C)(C)(C)OC(=O)N(C1=C(C=C(C(=O)OC)C=C1)[N+](=O)[O-])C1=NC=NC(=C1)N(C)C(=O)OC(C)(C)C>C1CCCO1.[BH4-].[Li+]>C(C)(C)(C)OC(=O)N(C1=CC(=NC=N1)N(C(OC(C)(C)C)=O)C)C1=C(C=C(C=C1)CO)[N+](=O)[O-]
3
C(C1=CC=CC=C1)OC=1C=C2C(=CC=C(C2=CC1)C(=O)OC)N(CC1=CC=CC=C1)CC1=CC=CC=C1>>NC1=CC=C(C2=CC=C(C=C12)O)C(=O)OC
5
[C:1]([C:3]1[C@@H:8]([C:9]2[CH:14]=[CH:13][C:12]([C:15]#[N:16])=[CH:11][CH:10]=2)[N:7]2[N:17]=[C:18]([S:20](Cl)(=[O:22])=[O:21])[N:19]=[C:6]2[N:5]([C:24]2[CH:29]=[CH:28][CH:27]=[C:26]([C:30]([F:33])([F:32])[F:31])[CH:25]=2)[C:4]=1[CH3:34])#[N:2].[CH:35]1([NH2:38])[CH2:37][CH2:36]1.C(N(CC)CC)C>C1COCC1>[C:1]([C:3]1[C@@H:...
1
BrC1=CC=C(C=C1)C(=O)C1=C(OC2=C1C=CC=C2)CCCC>>BrC1=CC=C(CC2=C(OC3=C2C=CC=C3)CCCC)C=C1
5
C(=O)([O-])[O-].[K+].[K+].[CH:7]([C:9]1[CH:18]=[CH:17][CH:16]=[C:15]([OH:19])[C:10]=1[C:11]([O:13][CH3:14])=[O:12])=[O:8].[CH3:20][O:21][C:22]1[CH:27]=[C:26]([O:28][CH3:29])[N:25]=[C:24](S(C)(=O)=O)[N:23]=1>CN(C=O)C>[CH3:20][O:21][C:22]1[CH:27]=[C:26]([O:28][CH3:29])[N:25]=[C:24]([O:19][C:15]2[CH:16]=[CH:17][CH:18]=[C:...
1
[NH:1]([C:9]([O:11][C:12]([CH3:15])([CH3:14])[CH3:13])=[O:10])[C@H:2]([C:6]([OH:8])=O)[CH:3]([CH3:5])[CH3:4].[OH2:16].O[C:18]1[C:26]2N=NN[C:22]=2[CH:21]=[CH:20][CH:19]=1.C1(N=C=N[CH:36]2[CH2:41][CH2:40]CCC2)CCCCC1.C[N:43]1[CH2:48][CH2:47][O:46][CH2:45]C1.[C:49]([O:52]CC)(=[O:51])[CH3:50]>CN(C)C=O>[NH:1]([C:9]([O:11][C:...
1
C1(CCCCCC1)CO>ClCCl.C=1C=C[NH+]=CC1.[O-][Cr](=O)(=O)Cl>C1(CCCCCC1)C=O
3
BrC1=CC=C(C#N)C=C1.C(C)OC1=C(C(=CC(=C1)CN1CCC2(CC(NC2)=O)CC1)OCC)C1=CC=C(C=C1)F>>C(C)OC1=C(C(=CC(=C1)CN1CCC2(CC(N(C2)C2=CC=C(C#N)C=C2)=O)CC1)OCC)C1=CC=C(C=C1)F
5
C(OCC[Si](C)(C)C)Cl.N1=CN=CC2=C1NC=C2>>C[Si](C=1N=C(C2=C(N1)NC=C2)COCC)(C)C
5
Br[C:2]1[C:3]([NH:9][C:10]2[CH:15]=[CH:14][CH:13]=[C:12]([C:16]([F:19])([F:18])[F:17])[CH:11]=2)=[N:4][C:5]([NH2:8])=[N:6][CH:7]=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1>CN(C=O)C.O.CCOC(C)=O.C([O-])(=O)C.[Pd+2].C([O-])(=O)C.C(=O)([O-])[O-].[Ag+2]>[F:17][C:16]([F:19])([F:18])[C:12]1[CH:11]=[C:10]2[C:15]([C:2]3[C:3]([NH:...
2
[C-]#N.[Zn+2].[C-]#N.BrC1=C2C=CN=C(C2=CC=C1)CCCO[Si](C)(C)C(C)(C)C>>CC(C)(C)[Si](OCCCC1=NC=CC=2C(=CC=CC12)C#N)(C)C
5
[C:1]([C:3]1[CH:8]=[CH:7][C:6]([C:9]2[CH:10]=[N:11][N:12]([C:15]3[CH:23]=[CH:22][C:18]([C:19]([OH:21])=O)=[CH:17][N:16]=3)[C:13]=2[OH:14])=[C:5]([CH3:24])[CH:4]=1)#[N:2].[CH3:25][N:26]([CH3:32])[C@H:27]1[CH2:31][CH2:30][NH:29][CH2:28]1.Cl.C(N=C=NCCCN(C)C)C.C1C=CC2N(O)N=NC=2C=1.CCN(C(C)C)C(C)C.Cl>CN(C=O)C>[CH3:25][N:26]...
1
[Br:1][C:2]1[CH:3]=[N:4][CH:5]=[C:6]([CH:10]=1)[C:7]([OH:9])=O.[Cl-].C([N:14]([CH2:17][CH3:18])[CH2:15]C)C.N1CCC1>C(Cl)Cl>[Br:1][C:2]1[CH:3]=[N:4][CH:5]=[C:6]([C:7]([N:14]2[CH2:15][CH2:18][CH2:17]2)=[O:9])[CH:10]=1
1
COC1=CC=C(CN(C2=NC(=NC(=N2)C)C=2C=C(C=NC2NC=2C=NC(=CC2)OC)CN2CCN(CC2)S(=O)(=O)N(C)C)CC2=CC=C(C=C2)OC)C=C1>>NC1=NC(=NC(=N1)C)C=1C=C(C=NC1NC=1C=NC(=CC1)OC)CN1CCN(CC1)S(=O)(=O)N(C)C
5
OC(CCC1=NC2=C(N1CCC#N)C=CC=C2)C>>O=C(CCC1=NC2=C(N1CCC#N)C=CC=C2)C
5
FC([C@@H]1CC[C@H](CC1)CO)(F)F>>FC([C@@H]1CC[C@H](CC1)C=O)(F)F
5
NNC(CN(C)C)=O.Cl.C(C)ON=CC=1C=C2C(=NNC2=CC1)C=1C=C(C=CC1)NC([C@@H](C1=CC=CC=C1)O)=O>>CN(C)CC1=NC(=NN1)C=1C=C2C(=NNC2=CC1)C=1C=C(C=CC1)NC([C@@H](C1=CC=CC=C1)O)=O
5
[H-].C(O[Al](OC(C)(C)C)OC(C)(C)C)(C)(C)C.[Li+].[C:19]([OH:22])(=[O:21])[CH3:20].[C:23]([OH:26])(=[O:25])[CH3:24].O[C@H:28]1[CH2:33][CH2:32][C@H:31]2[C@H:34]3[C@H:45]([CH2:46][CH2:47][C@:29]12[CH3:30])[C@:42]1([CH2:43]O)[C:37]([CH2:38][C:39](=[O:49])[CH2:40][C@@H:41]1[CH3:48])=[CH:36][C@H:35]3[CH3:50].C(C(C(C([O-])=O)O)...
1
[CH3:1][N:2]1[C:6]([C:7](Cl)=[O:8])=[C:5]([C:10]2[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=2)[N:4]=[CH:3]1.C1(C)C=CC(S(O)(=O)=O)=CC=1.[NH2:27][CH:28]([C:31]#[N:32])[C:29]#[N:30].O>CN1C(=O)CCC1>[CH3:7][CH2:6][CH2:5][CH:10]([CH3:15])[CH3:11].[NH2:32][C:31]1[O:8][C:7]([C:6]2[N:2]([CH3:1])[CH:3]=[N:4][C:5]=2[C:10]2[CH:15]=[CH:...
1
ClC(Cl)(OC(OC(Cl)(Cl)Cl)=O)Cl.COC=1C=C2C(=CC=NC2=CC1OC)OC1=CC=C(N)C=C1>>COC=1C=C2C(=CC=NC2=CC1OC)OC1=CC=C(C=C1)NC(OCCCC)=O
5
C1(=CC=CC=C1)S(=O)(=O)N1C(=CC=2C1=NC=C(C2)OC)C(CC2OCCC2)(O)C2=CC=C(C=C2)S(=O)(=O)C>C1CCCO1.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC>CS(=O)(=O)C1=CC=C(C=C1)C(=CC1OCCC1)C1=CC=2C(=NC=C(C2)OC)N1
3
N=1ON=C2C1C=CC(=C2)OC2=C(C(=O)NCC1=CC=C(C=C1)C(C)(C)O)C=CC=N2>ClCCl.[Sn](Cl)(Cl)(Cl)Cl.C[Si](C)(C)C#N.O.O.[F-].[K+]>N=1ON=C2C1C=CC(=C2)OC2=C(C(=O)NCC1=CC=C(C=C1)C(C)(C)C#N)C=CC=N2
3
FC(C=1C=C(C=CC1)S(=O)(=O)Cl)(F)F.NC1=C(C=CC=C1)/C=C/C(=O)OC>ClCCl.CCN(CC)CC>FC(C=1C=C(C=CC1)S(=O)(=O)N(S(=O)(=O)C1=CC(=CC=C1)C(F)(F)F)C1=C(C=CC=C1)/C=C/C(=O)OC)(F)F
3
BrC=1SC(=NN1)C(F)F.C(#N)C1(CC1)NS(=O)(=O)C1=CC=C2C3=C(NC2=C1)N=CN=C3C3=CCC(CC3)O>O1CCOCC1.C(=O)([O-])[O-].[Cs+].[Cs+].CC(C1=CC(C(C)C)=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=C1)C.NC5=C(C=CC=C5)C6=C(C=CC=C6)[Pd]OS(C)(=O)=O>C(#N)C1(CC1)NS(=O)(=O)C1=CC=C2C3=C(N(C2=C1)C=1SC(=NN1)C(F)F)N=CN=C3C3=CCC(CC3)O
3
O[CH2:2][CH:3]([C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][C:14]=1[C:19]([F:22])([F:21])[F:20])[CH2:4][NH:5][C:6](=[O:12])[O:7]C(C)(C)C.[Cl:23]S([N:27]=C=O)(=O)=O.O.C(=O)(O)[O-].[Na+]>C(#N)C>[ClH:23].[NH2:27][CH2:2][CH:3]([C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][C:14]=1[C:19]([F:22])([F:21])[F:20])[CH2:4][NH:5][C:6](=[O:12])[OH...
1
C1(=CC=CC=C1)[C@@H](C)N1[C@H]2[C@@H](CCC1)CN(C2)[C@@H](C)C2=CC=CC=C2>>N1[C@H]2[C@@H](CCC1)CNC2
5
NC1=CC=C(C=C1)C(C(F)(F)F)(C(F)(F)F)O.O1CC(C1)CO>C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.N(=NC(=O)OC(C)C)C(=O)OC(C)C>FC(C(C(F)(F)F)(OCC1COC1)C1=CC=C(N)C=C1)(F)F
3
S(=O)(=O)(N)N.CN(C)CC1=CC(=NC=C1)CSCCC#N>C(Cl)(Cl)(Cl)[H].CO[H].Cl>S(N)(=O)(=O)NC(CCSCC1=NC=CC(=C1)CN(C)C)=N
3
C(C)(C)(C)OC(=O)N1CCN(CCC1)C=1C=C(C=C2C=CC=NC12)CC>>Cl.Cl.N1(CCNCCC1)C=1C=C(C=C2C=CC=NC12)CC
5
[Cl:1][C:2]1[C:11]2[C:6](=[CH:7][C:8]([O:17][CH2:18][CH2:19][O:20][CH3:21])=[C:9]([O:12][CH2:13][CH2:14][O:15][CH3:16])[CH:10]=2)[N:5]=[CH:4][N:3]=1.C1(C)C=CC=CC=1.[NH2:29][C:30]1[CH:31]=[C:32]([C:36]#[CH:37])[CH:33]=[CH:34][CH:35]=1.Cl>C(#N)C>[CH3:16][O:15][CH2:14][CH2:13][O:12][C:9]1[CH:10]=[C:11]2[C:2]([NH:29][C:30]...
1
Cl.FC1(CNCC1)F.ClC1=CC2=C(C=N1)OC1=CC=C(C=C1[C@]21N=C(SC1)NC(OC(C)(C)C)=O)C=1C(=NC=CC1)F>>FC1(CN(CC1)C1=CC2=C(C=N1)OC1=CC=C(C=C1[C@]21N=C(SC1)NC(OC(C)(C)C)=O)C=1C(=NC=CC1)F)F
5
C(C)(C)(C)OC(NC(CC1=CC=C(C=C1)I)(C)C)=O>CO[H].Cl>IC1=CC=C(C=C1)CC(C)(C)N
3
[N-:1]=[N+:2]=[N-:3].[Na+].CS(O[C@@H:10]([CH3:28])[CH2:11][CH2:12][CH2:13][CH2:14][N:15]1[C:24](=[O:25])[C:23]2[N:22]([CH3:26])[CH:21]=[N:20][C:19]=2[N:18]([CH3:27])[C:16]1=[O:17])(=O)=O.O>CS(C)=O>[N:1]([C@H:10]([CH3:28])[CH2:11][CH2:12][CH2:13][CH2:14][N:15]1[C:24](=[O:25])[C:23]2[N:22]([CH3:26])[CH:21]=[N:20][C:19]=2...
1
[ClH:1].N[C:3]1[C:11]([S:12][CH3:13])=[CH:10][C:9]([CH3:14])=[CH:8][C:4]=1[C:5]([OH:7])=[O:6].N([O-])=O.[Na+]>O.[Cu]Cl>[Cl:1][C:3]1[C:11]([S:12][CH3:13])=[CH:10][C:9]([CH3:14])=[CH:8][C:4]=1[C:5]([OH:7])=[O:6]
1
C(C1=CC=CC=C1)OC(C(CC)(C)OC1=CC(=CC=C1)CCNCCCCCCC)=O.FC1=CC=C(C=C1)CS(=O)(=O)Cl>ClCCl.CCN(CC)CC>C(C1=CC=CC=C1)OC(C(CC)(C)OC1=CC(=CC=C1)CCN(CCCCCCC)S(=O)(=O)CC1=CC=C(C=C1)F)=O
3
[C:1](Cl)(=[O:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[Cl:10][C:11]1[CH:17]=[CH:16][C:14]([NH2:15])=[CH:13][C:12]=1[C:18]([F:21])([F:20])[F:19].N1C=CC=CC=1>C1C=CC=CC=1>[Cl:10][C:11]1[CH:17]=[CH:16][C:14]([NH:15][C:1](=[O:8])[C:2]2[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=2)=[CH:13][C:12]=1[C:18]([F:19])([F:20])[F:21]
1
ClC1=C(C=C(C(=C1)Cl)C(F)(F)F)[N+](=O)[O-]>N(C)(C)C=O.C(C)(=O)[O-].[K+]>ClC=1C(=CC(=C(C1)O)[N+](=O)[O-])C(F)(F)F
3
[F:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]([CH2:16][CH2:17][O:18][CH3:19])[C:9]([N:11]2[CH:15]=[CH:14][N:13]=[CH:12]2)=[O:10])=[CH:4][CH:3]=1.[CH3:20][I:21]>C(#N)C>[I-:21].[F:1][C:2]1[CH:3]=[CH:4][C:5]([N:8]([CH2:16][CH2:17][O:18][CH3:19])[C:9]([N:11]2[CH:15]=[CH:14][N+:13]([CH3:20])=[CH:12]2)=[O:10])=[CH:6][CH:7]=1
1
[CH3:1][NH:2][CH3:3].[C:4]1([OH:10])[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=1.[CH2:11]=[O:12]>CO>[C:4]1([OH:10])[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=1.[CH3:1][N:2]([CH2:7][C:6]1[CH:5]=[CH:4][CH:9]=[CH:8][C:11]=1[OH:12])[CH3:3]
1
Br[C:2]1[CH:3]=[C:4]([N+:10]([O-:12])=[O:11])[C:5]([CH3:9])=[C:6]([F:8])[CH:7]=1.[F:13][C:14]1[CH:15]=[C:16](B(O)O)[CH:17]=[CH:18][CH:19]=1.C([O-])([O-])=O.[K+].[K+].O>O1CCOCC1.CCO.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...
1
C1(C)C=CC=CC=1P(C1C=CC=CC=1C)C1C=CC=CC=1C.[CH:23]1[C:36]2[NH:35][C:34]3[C:29](=[CH:30][CH:31]=[CH:32][CH:33]=3)[O:28][C:27]=2[CH:26]=[CH:25][CH:24]=1.Br[C:38]1[CH:43]=[CH:42][C:41]([CH2:44][CH2:45][CH2:46][CH3:47])=[CH:40][CH:39]=1.CC(C)([O-])C.[Na+].Cl>C([O-])(=O)C.[Pd+2].C([O-])(=O)C.C1(C)C=CC=CC=1>[CH2:44]([C:41]1[C...
1
C1(=CC=CC=C1)CC(=O)Cl.NC1=CC=C(CC2CCN(CC2)CC2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O)C=C1>ClCCl.CCN(CC)CC>FC(C(C(F)(F)F)(O)C1=CC=C(CN2CCC(CC2)CC2=CC=C(C=C2)NC(CC2=CC=CC=C2)=O)C=C1)(F)F
3
ClC=1C=C(C=CC1Cl)C[C@@H]1N(CC[C@H](C1)NC1=NC2=C(N1CCOCC)C=CC=C2)C(=O)OCC>C(C)(C)O.[OH-].[K+]>ClC=1C=C(C=CC1Cl)C[C@@H]1NCC[C@H](C1)NC1=NC2=C(N1CCOCC)C=CC=C2
3
[CH2:1]([O:17][CH2:18][C:19](=[CH2:31])[CH2:20][O:21][CH2:22][CH2:23][CH2:24][CH2:25][O:26][S:27]([CH3:30])(=[O:29])=[O:28])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH3:16].[N:32]1[CH:37]=[CH:36][CH:35]=[CH:34][CH:33]=1>>[CH3:30][S:27]([O-:29])(=[O:28])=[O...
1
[CH2:1]([O:3][C:4](=[O:22])[CH2:5][CH:6]([C:12]1[CH:17]=[CH:16][CH:15]=[C:14]([O:18][CH3:19])[C:13]=1[O:20][CH3:21])[CH2:7][CH2:8][CH2:9][CH2:10][CH3:11])[CH3:2].[N+:23]([O-])([OH:25])=[O:24]>O>[CH2:1]([O:3][C:4](=[O:22])[CH2:5][CH:6]([C:12]1[CH:17]=[C:16]([N+:23]([O-:25])=[O:24])[CH:15]=[C:14]([O:18][CH3:19])[C:13]=1[...
1
[S:1]1[CH:5]=[CH:4][CH:3]=[C:2]1[CH:6]1[O:10][CH2:9][CH2:8][O:7]1.[Li]CCCC.[Sn:16](Cl)([CH2:25][CH2:26][CH2:27][CH3:28])([CH2:21][CH2:22][CH2:23][CH3:24])[CH2:17][CH2:18][CH2:19][CH3:20]>C1COCC1>[O:7]1[CH2:8][CH2:9][O:10][CH:6]1[C:2]1[S:1][C:5]([Sn:16]([CH2:21][CH2:22][CH2:23][CH3:24])([CH2:25][CH2:26][CH2:27][CH3:28])...
2
C(C)(=O)NC1=CC=C(C=C1)O.C(C)OC(\C=C\C1=C(C=CC(=C1)F)[N+](=O)[O-])=O>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+].C1COCCOCCOCCOCCOCCO1>C(C)OC(\C=C\C1=C(C=CC(=C1)OC1=CC=C(C=C1)NC(C)=O)[N+](=O)[O-])=O
3
FC1=C(CNC(C2=CC=C(C=C2)CC)=O)C=CC(=C1)F>>FC1=C(CNCC2=CC=C(C=C2)CC)C=CC(=C1)F
5
C(C1=CC=CC=C1)OC=1C=C2C(=C(C=NC2=CC1OC)[N+](=O)[O-])NC1=C(C=C(C#N)C=C1)F>CCO[H].O.O.[Sn](Cl)Cl>NC=1C=NC2=CC(=C(C=C2C1NC1=C(C=C(C#N)C=C1)F)OCC1=CC=CC=C1)OC
3
BrC=1C=CC(=NC1)[N+](=O)[O-].ClC1=NC=CC(=C1)O>N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+]>ClC1=NC=CC(=C1)OC=1C=NC(=CC1)[N+](=O)[O-]
3
BrC=1C=C(C=C2C(=C(C=NC12)COC)OC)C>O1CCOCC1.B1(OC(C(O1)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C.C(C)(=O)[O-].[K+].ClCCl.[Pd](Cl)Cl.C1(=CC=CC=C1)P(C1=CC=CC=C1)[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2].C1(=CC=CC=C1)P(C1=CC=CC=C1)[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2]>COC1=C(C=NC2=C(C=C(C=C12)C)B1OC(C(O1)(C)C)(C)C)COC
3
Cl[C:2]1[N:7]=[C:6]([Cl:8])[N:5]=[C:4]([CH3:9])[N:3]=1.[Cl:10][C:11]1[CH:16]=[C:15]([Cl:17])[CH:14]=[CH:13][C:12]=1[CH2:18][NH:19][C:20]([CH:22]1[CH2:27][CH2:26][NH:25][CH2:24][CH2:23]1)=[O:21].C(N(C(C)C)CC)(C)C>C(#N)C>[Cl:8][C:6]1[N:5]=[C:4]([CH3:9])[N:3]=[C:2]([N:25]2[CH2:26][CH2:27][CH:22]([C:20]([NH:19][CH2:18][C:1...
1
Cl.CNC.ClC=1C(=C(C=CC1)S(=O)(=O)NC=1SC=C(N1)CCOCC)C>>ClC=1C(=C(C=CC1)S(=O)(=O)NC=1SC(=C(N1)CCOCC)CN(C)C)C
5
[NH2:1][C:2]1[C:3]([F:31])=[C:4]([CH:26]=[CH:27][C:28]=1[C:29]#[N:30])[C:5]([NH:7][C:8]1[C:13]([CH3:14])=[CH:12][C:11]([C:15]([F:24])([C:20]([F:23])([F:22])[F:21])[C:16]([F:19])([F:18])[F:17])=[CH:10][C:9]=1[CH3:25])=[O:6].N1C=CC=CC=1.[C:38](Cl)(=[O:45])[C:39]1[CH:44]=[CH:43][CH:42]=[CH:41][CH:40]=1>O1CCCC1>[C:38]([NH:...
1
[C:1]([NH:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][C:12]#[N:13])(=O)[CH2:2][CH3:3].NCCCCCCC#N.C(Cl)(=O)CC.C(C(N)CCCCCCN)CC.[H-].[Al+3].[Li+].[H-].[H-].[H-]>O1CCCC1.C1C=CC=CC=1.N1C=CC=CC=1>[CH2:1]([NH:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][NH2:13])[CH2:2][CH3:3]
1
Cl[CH:2]([C:4]1[C:5]([NH:12][CH3:13])=[N:6][C:7]([S:10][CH3:11])=[N:8][CH:9]=1)[CH3:3].[I-].[Na+].[Br:16][C:17]1[CH:23]=[CH:22][CH:21]=[CH:20][C:18]=1[NH2:19].C(N(C(C)C)C(C)C)C>C(#N)C.O>[Br:16][C:17]1[CH:23]=[CH:22][CH:21]=[CH:20][C:18]=1[NH:19][CH:2]([C:4]1[C:5]([NH:12][CH3:13])=[N:6][C:7]([S:10][CH3:11])=[N:8][CH:9]=...
1
C(C1=CC=CC=C1)Br.OC=1C=C(C=O)C=CC1OC(F)F>CC#N.C([O-])([O-])=O.[K+].[K+]>C(C1=CC=CC=C1)OC=1C=C(C=O)C=CC1OC(F)F
3
N1=CC=CC2=CC=CC(=C12)S(=O)(=O)N1[C@@H](COCC2=C(C1)C=CC=C2)CC(=O)O>ClCCl.N.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>N1=CC=CC2=CC=CC(=C12)S(=O)(=O)N1[C@@H](COCC2=C(C1)C=CC=C2)CC(=O)N
3
N[C@H:2]([C:8]([OH:10])=[O:9])[CH2:3][CH2:4][C:5]([OH:7])=[O:6].[OH-:11].[Na+].[CH:13]#[N:14].[CH2:15]=[O:16].S(=O)(=O)(O)O>O>[C:15]([CH2:13][N:14]([CH2:4][C:5]([OH:7])=[O:6])[C@H:2]([C:8]([OH:10])=[O:9])[CH2:3][CH2:4][C:5]([OH:7])=[O:6])([OH:16])=[O:11]
1
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([C:11]2[C@H:20]3[C@H:15]([CH2:16][CH:17]=[CH:18][CH2:19]3)[C:14](=[O:21])[N:13]([CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27]Br)[N:12]=2)[CH:6]=[CH:7][C:8]=1[O:9][CH3:10].[C:29]1(=[O:39])[NH:33][C:32](=[O:34])[C:31]2=[CH:35][CH:36]=[CH:37][CH:38]=[C:30]12.C(=O)([O-])[O-].[K+].[K+].C[N:...
1
[Br:1][C:2]1[CH:10]=[CH:9][C:8]([C:11]([F:14])([F:13])[F:12])=[CH:7][C:3]=1[C:4]([OH:6])=O.C([O:17][C:18](=[O:40])[C:19]([O:22][C:23]1[CH:28]=[CH:27][C:26]([O:29][C:30]2[CH:35]=[CH:34][CH:33]=[C:32]([CH2:36][NH2:37])[CH:31]=2)=[CH:25][C:24]=1[CH2:38]C)([CH3:21])[CH3:20])C>>[Br:1][C:2]1[CH:10]=[CH:9][C:8]([C:11]([F:14])...
2
C([O:8][NH:9][C:10]([C@H:12]([C@@H:22]([CH2:38][CH:39]([CH3:41])[CH3:40])[C:23]([NH:25][N:26]1[C:30](=[O:31])[CH2:29][N:28]([CH2:32][CH2:33][N:34]([CH3:36])[CH3:35])[C:27]1=[O:37])=[O:24])[CH2:13][CH2:14][CH2:15][C:16]1[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=1)=[O:11])C1C=CC=CC=1>CO.[Pd]>[OH:8][NH:9][C:10]([C@H:12]([C@@H...
1
FC(C(F)(F)F)(F)C=1C=CC=2N(C1)C(=NN2)C(=O)OCC>CO[H].[HH].[OH-].[Pd+2].[OH-]>FC(C(F)(F)F)(F)C1CCC=2N(C1)C(=NN2)C(=O)OCC
3
C([O:4][CH2:5][C@@H:6]1[C@@H:11]([O:12]C(=O)C)[C@H:10]([OH:16])[C@H:9]([OH:17])[C@@H:8]([C:18]2[CH:23]=[CH:22][C:21]([Cl:24])=[C:20]([OH:25])[CH:19]=2)[O:7]1)(=O)C.CO[Na]>CO>[Cl:24][C:21]1[CH:22]=[CH:23][C:18]([C@@H:8]2[C@@H:9]([OH:17])[C@@H:10]([OH:16])[C@H:11]([OH:12])[C@@H:6]([CH2:5][OH:4])[O:7]2)=[CH:19][C:20]=1[OH...
2
[NH:1]1[CH:5]=[C:4]([CH2:6][C:7]([OH:9])=O)[N:3]=[CH:2]1.[CH2:10]([C@@H:17]1[NH:22][CH2:21][CH2:20][N:19]([C:23]2[CH:28]=[CH:27][C:26]([O:29][CH3:30])=[C:25]([O:31][CH:32]([F:34])[F:33])[CH:24]=2)[CH2:18]1)[C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1>>[CH2:10]([C@H:17]1[CH2:18][N:19]([C:23]2[CH:28]=[CH:27][C:26]([O:2...
1
C(C#C)N.Br.N=C1SC2=C(N1CC#C)C=CC(=C2)OC(F)(F)F>>C(C#C)N=C1SC2=C(N1CC#C)C=CC(=C2)OC(F)(F)F
5
N(=[N+]=[N-])C(C)C=1N=C2N(C(C1C1=CC=CC=C1)=O)C=CS2>>NC(C)C=1N=C2N(C(C1C1=CC=CC=C1)=O)C=CS2
5
CI.COC(C(C1CC(CCC1)=O)S(=O)(=O)C1=CC=CC2=CC=CC=C12)=O>N(C)(C)C=O.[H-].[Na+]>COC(C(C)(C1CC(CCC1)=O)S(=O)(=O)C1=CC=CC2=CC=CC=C12)=O
3
BrC1=C(OC2=C1C=C(C=C2)OC)C(=O)O>N1=CC=CC2=CC=CC=C12.[Cu]>BrC1=COC2=C1C=C(C=C2)OC
3
N1(CCCC1)C1CCC(CC1)NC(OC(C)(C)C)=O>>N1(CCCC1)C1CCC(CC1)N
5
N1CCSCC1.ClC1=NC(=CC2=CC=CC=C12)Cl>O1CCOCC1>S1CCN(CC1)C1=NC(=CC2=CC=CC=C12)Cl
3
[C-]#N.[Zn+2].[C-]#N.ClC=1N=CC=C2C1N(C(=C2)C(=O)N(C)C21CC(C2)(C1)F)C>[Zn].CN(C(C)=O)C.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([C-]1C=CC=C1)C1=CC=CC=C1.[C-]1(C=CC=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.[Fe+2]>C(#N)C=1N=CC=C2C1N(C(=C2)C(=O...
3
ClC(Cl)(OC(OC(Cl)(Cl)Cl)=O)Cl.NC1=C(C(=CC(=C1C)Cl)F)N1C(N(C(=CC1=O)C(F)(F)F)C)=O>CCN(CC)CC.C(C)(=O)OCC>ClC1=C(C(=C(C(=C1)F)N1C(N(C(=CC1=O)C(F)(F)F)C)=O)N=C=O)C
3
C([O:5]C1C=CC(SC(C2C=CC=C(Cl)C=2)C(NO)=O)=CC=1)C#CC.[CH2:25]([O:29][C:30]1[CH:35]=[CH:34][C:33]([S:36]([CH:38]([C:43]2[CH:48]=[CH:47][CH:46]=[C:45]([Cl:49])[CH:44]=2)[C:39]([NH:41][OH:42])=[O:40])=[O:37])=[CH:32][CH:31]=1)[C:26]#[C:27][CH3:28]>>[CH2:25]([O:29][C:30]1[CH:31]=[CH:32][C:33]([S:36]([CH:38]([C:43]2[CH:48]=[...
1
FC1=C(C(=O)O)C=C(C(=C1F)F)[N+](=O)[O-]>O.N>NC1=C(C(=C(C(=O)O)C=C1[N+](=O)[O-])F)F
3
C(C1=CC=CC=C1)OC1=CC=2NC=3C=CC=CC3C2N=C1>>N1=CC(=CC=2NC=3C=CC=CC3C21)O
5
Cl[S:2]([C:5]1[C:10]2[NH:11][C:12](=[O:14])[NH:13][C:9]=2[CH:8]=[C:7]([C:15]([OH:17])=[O:16])[CH:6]=1)(=O)=O.O1CCCC1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.[OH-].[Na+]>O>[SH:2][C:5]1[C:10]2[NH:11][C:12](=[O:14])[NH:13][C:9]=2[CH:8]=[C:7]([C:15]([OH:17])=[O:16])[CH:6]=1
2
C(O[CH2:4][CH2:5][O:6][CH2:7][CH2:8][O:9][CH2:10][CH2:11]O)C.C=[O:14].[C:15]1([CH3:21])C=CC=CC=1>O>[CH2:10]([O:9][CH2:8][CH2:7][O:6][CH:5]([OH:14])[CH3:4])[CH2:11][CH2:15][CH3:21]
1
[C:1]([O:5][CH2:6][CH3:7])(=[O:4])[CH:2]=[CH2:3].N#N.[CH:10]1[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1>>[C:1]([O:5][CH2:6][CH3:7])(=[O:4])/[CH:2]=[CH:3]/[C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1.[C:1]([O:5][CH2:6][CH3:7])(=[O:4])[CH2:2][CH3:3]
1
FC1=NC=CC=C1.OC=1C=CC=C2C=CN(C(C12)=O)CC1CNCC1>CS(=O)C.C1CCC2=NCCCN2CC1>OC=1C=CC=C2C=CN(C(C12)=O)CC1CN(CC1)C1=NC=CC=C1
3
Br[C:2]1[C:7]2=[CH:8][N:9]([C:11]3[C:16]([F:17])=[CH:15][CH:14]=[CH:13][C:12]=3[Cl:18])[N:10]=[C:6]2[CH:5]=[CH:4][N:3]=1.[C:19](=[O:26])([O:21][C:22]([CH3:25])([CH3:24])[CH3:23])[NH2:20].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.[O-]P([O-])([O-])=O.[K+].[K+].[K+]>C1(C)C=CC=C...
1
OC=1C(=C(C=CC1O)C(CNC(CC)(C)C)=O)OC>CO[H].[HH].[Pt](=O)=O>CC(CC)(C)NCC(O)C=1C(=C(C(=CC1)O)O)OC
3
FC(CN1CCC2(OCCO2)CCC1)(F)F>>FC(CN1CCC(CCC1)=O)(F)F
5
C(C1=CC=CC=C1)(=O)N.NC1=CC=CC=C1>C1(=CC=CC=C1)C.Cl.NO>C(C1=CC=CC=C1)(=O)NC1=CC=CC=C1
3
CC(C(COC1=C(C=C(C=C1)C(CC)(CC)C=1C=C(C2=C(C=C(O2)C(=O)O)C1)C)C)=O)(C)C>>C(C)C(CC)(C1=CC(=C(C=C1)OCC(C(C)(C)C)O)C)C=1C=C(C2=C(C=C(O2)C(=O)O)C1)C
5