HRID141315

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID7854

Propionitrile

C3H5N

HCID8821

Ethyl acrylate

C5H8O2

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID81531

Diisopropylethylamine

C8H19N

HCID96743

2-Bromo-5-fluorotoluene

C7H6BrF

HCID105144

Palladium(2+)

Pd+2

PRODUCTS

生成物

HCID53717724

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a618fd15442d4bf9affd5e261ba0fb64
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:1][c:2]1[c:3]([CH3:9])[cH:4][c:5]([F:8])[cH:6][cH:7]1.[C:41]([CH:42]=[CH2:43])(=[O:44])[O:45][CH2:46][CH3:47].[C:48](#[N:49])[CH2:50][CH3:51].[C:52]([O-:53])(=[O:54])[CH3:55].[C:57]([O-:58])(=[O:59])[CH3:60].[CH:32]([N:33]([CH2:34][CH3:35])[CH:36]([CH3:37])[CH3:38])([CH3:39])[CH3:40].[Pd+2:56].[c:10]1([CH3:11])[cH:12][cH:13][cH:14][cH:15][c:16]1[P:17]([c:18]1[cH:19][cH:20][cH:21][cH:22][c:23]1[CH3:24])[c:25]1[cH:26][cH:27][cH:28][cH:29][c:30]1[CH3:31]>>[c:2]1([CH:43]=[CH:42][C:41](=[O:44])[O:45][CH2:46][CH3:47])[c:3]([CH3:9])[cH:4][c:5]([F:8])[cH:6][cH:7]1