HRID137884

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID72864

Ethanone, 1-(2-chlorophenyl)-

C8H7ClO

HCID105144

Palladium(2+)

Pd+2

结构：Cc1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1

HCID2734938

2-(Dicyclohexylphosphino)-2'-methylbiphenyl

C25H33P

HCID2769567

5-Bromo-2-chloroanisole

C7H6BrClO

HCID4574913

未命名化合物

PRODUCTS

生成物

HCID67330467

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a7cb37bf88314689b4c2d58399d601fa
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:11][c:12]1[cH:13][c:14]([O:19][CH3:20])[c:15]([Cl:18])[cH:16][cH:17]1.[CH3:21][C:22]([CH3:23])([O-:24])[CH3:25].[CH3:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[CH:27]1([P:28]([CH:29]2[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34]2)[c:35]2[cH:36][cH:37][cH:38][cH:39][c:40]2-[c:41]2[cH:42][cH:43][cH:44][cH:45][c:46]2[CH3:47])[CH2:48][CH2:49][CH2:50][CH2:51][CH2:52]1.[Cl:1][c:2]1[c:3]([C:8]([CH3:9])=[O:10])[cH:4][cH:5][cH:6][cH:7]1.[Na+:26].[O-:61][C:62]([CH3:63])=[O:64].[O-:65][C:66]([CH3:67])=[O:68].[Pd+2:60]>>[Cl:1][c:2]1[c:3]([C:8]([CH2:9][c:12]2[cH:13][c:14]([O:19][CH3:20])[c:15]([Cl:18])[cH:16][cH:17]2)=[O:10])[cH:4][cH:5][cH:6][cH:7]1