HRID2134802

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

3 次

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7855

Acrylonitrile

C3H3N

HCID70741

Benzaldehyde, 4-bromo-

C7H5BrO

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID105144

Palladium(2+)

Pd+2

PRODUCTS

生成物

HCID175

Acetate

C2H3O2-

2 次

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID105144

Palladium(2+)

Pd+2

HCID54377318

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1a43f204ee30466ba40a6b9825057687
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:32][c:33]1[cH:34][cH:35][c:36]([CH:37]=[O:38])[cH:39][cH:40]1.[C:1]([CH3:2])(=[O:3])[O-:4].[C:6]([CH3:7])(=[O:8])[O-:9].[CH2:41]=[CH:42][C:43]#[N:44].[CH3:46][C:47](=[O:48])[O-:49].[CH3:50][N:51]([CH3:52])[CH:53]=[O:54].[Na+:45].[OH2:55].[Pd+2:5].[c:10]1([CH3:31])[c:11]([P:16]([c:17]2[c:18]([CH3:23])[cH:19][cH:20][cH:21][cH:22]2)[c:24]2[c:25]([CH3:30])[cH:26][cH:27][cH:28][cH:29]2)[cH:12][cH:13][cH:14][cH:15]1>>[C:1]([CH3:2])(=[O:3])[O-:4].[C:6]([CH3:7])(=[O:8])[O-:9].[Pd+2:5].[c:10]1([CH3:31])[c:11]([P:16]([c:17]2[c:18]([CH3:23])[cH:19][cH:20][cH:21][cH:22]2)[c:24]2[c:25]([CH3:30])[cH:26][cH:27][cH:28][cH:29]2)[cH:12][cH:13][cH:14][cH:15]1.[c:33]1([CH:41]=[CH:42][C:43]#[N:44])[cH:34][cH:35][c:36]([CH:37]=[O:38])[cH:39][cH:40]1