HRID151007

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID923

Sodium ion

Na+

HCID7805

4-Bromotoluene

C7H7Br

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID14778

未命名化合物

结构：c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1

HCID74267

Phosphine, 1,2-ethanediylbis[diphenyl-

C26H24P2

HCID105144

Palladium(2+)

Pd+2

HCID277296

4-Methylbenzene-1-sulfinate

C7H7O2S-

PRODUCTS

生成物

HCID11941

4,4'-Dimethylbiphenyl

C14H14

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-967b2e847ad1434192966be0e366acea
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:12][c:13]1[cH:14][cH:15][c:16]([CH3:19])[cH:17][cH:18]1.[C:50]([O-:51])(=[O:52])[CH3:53].[C:55]([O-:56])(=[O:57])[CH3:58].[CH3:59][N:60]1[CH2:61][CH2:62][CH2:63][C:64]1=[O:65].[Na+:11].[O:48]=[Ca:49].[Pd+2:54].[c:1]1([CH3:10])[cH:2][cH:3][c:4]([S:7]([O-:8])=[O:9])[cH:5][cH:6]1.[c:20]1([P:21]([c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[CH2:28][CH2:29][P:30]([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[cH:43][cH:44][cH:45][cH:46][cH:47]1>>[c:1]1([CH3:10])[cH:2][cH:3][c:4](-[c:13]2[cH:14][cH:15][c:16]([CH3:19])[cH:17][cH:18]2)[cH:5][cH:6]1