HRID667061

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID7294

Methyl acrylate

C4H6O2

HCID7854

Propionitrile

C3H5N

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID81531

Diisopropylethylamine

C8H19N

HCID105144

Palladium(2+)

Pd+2

HCID251672

1-Bromo-2-methyl-4-nitrobenzene

C7H6BrNO2

PRODUCTS

生成物

HCID68839650

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-599da9f942a64c0eb2ca14059e894452
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:1][c:2]1[c:3]([CH3:11])[cH:4][c:5]([N+:8](=[O:9])[O-:10])[cH:6][cH:7]1.[C:21]([CH:22]=[CH2:23])(=[O:24])[O:25][CH3:26].[C:49](#[N:50])[CH2:51][CH3:52].[CH:12]([N:13]([CH2:14][CH3:15])[CH:16]([CH3:17])[CH3:18])([CH3:19])[CH3:20].[O-:54][C:55]([CH3:56])=[O:57].[O-:58][C:59]([CH3:60])=[O:61].[Pd+2:53].[c:27]1([CH3:28])[cH:29][cH:30][cH:31][cH:32][c:33]1[P:34]([c:35]1[cH:36][cH:37][cH:38][cH:39][c:40]1[CH3:41])[c:42]1[cH:43][cH:44][cH:45][cH:46][c:47]1[CH3:48]>>[c:2]1([CH:23]=[CH:22][C:21](=[O:24])[O:25][CH3:26])[c:3]([CH3:11])[cH:4][c:5]([N+:8](=[O:9])[O-:10])[cH:6][cH:7]1