HRID186879

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID12161

4-Methylstyrene

C9H10

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID81531

Diisopropylethylamine

C8H19N

HCID105144

Palladium(2+)

Pd+2

结构：Oc1nc(Nc2ccc(Cl)c(Cl)c2)nc2c(I)cc(F)cc12

HCID178518006

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C=Cc2cc(F)cc3c(O)nc(Nc4ccc(Cl)c(Cl)c4)nc23)cc1

HCID178424839

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c2a191fd0bdd49d4bdf16a4b7dee6268
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:68]([O-:69])(=[O:70])[CH3:71].[C:73]([O-:74])(=[O:75])[CH3:76].[CH3:23][c:24]1[cH:25][cH:26][c:27]([CH:28]=[CH2:29])[cH:30][cH:31]1.[CH3:63][N:64]([CH3:65])[CH:66]=[O:67].[CH3:80][OH:81].[CH:32]([N:33]([CH:34]([CH3:35])[CH3:36])[CH2:37][CH3:38])([CH3:39])[CH3:40].[Cl:1][c:2]1[cH:3][c:4]([NH:9][c:10]2[n:11][c:12]3[c:13]([I:22])[cH:14][c:15]([F:21])[cH:16][c:17]3[c:18]([OH:20])[n:19]2)[cH:5][cH:6][c:7]1[Cl:8].[Cl:77][CH2:78][Cl:79].[Pd+2:72].[c:41]1([CH3:42])[cH:43][cH:44][cH:45][cH:46][c:47]1[P:48]([c:49]1[cH:50][cH:51][cH:52][cH:53][c:54]1[CH3:55])[c:56]1[cH:57][cH:58][cH:59][cH:60][c:61]1[CH3:62]>>[Cl:1][c:2]1[cH:3][c:4]([NH:9][c:10]2[n:11][c:12]3[c:13]([CH:29]=[CH:28][c:27]4[cH:26][cH:25][c:24]([CH3:23])[cH:31][cH:30]4)[cH:14][c:15]([F:21])[cH:16][c:17]3[c:18]([OH:20])[n:19]2)[cH:5][cH:6][c:7]1[Cl:8]