HRID168257

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID923

Sodium ion

Na+

HCID7030

4-Bromobenzophenone

C13H9BrO

HCID7148

1-Phenylpropan-1-one

C9H10O

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID83681

Tris(1,1-dimethylethyl)phosphine

C12H27P

HCID105144

Palladium(2+)

Pd+2

HCID4574913

未命名化合物

PRODUCTS

生成物

结构：CC(C(=O)c1ccccc1)c1ccc(C(=O)c2ccccc2)cc1

HCID9861643

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1bb9aa2c91f642f5ad39f4a80978f55a
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:20][c:21]1[cH:22][cH:23][c:24]([C:25](=[O:26])[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:33][cH:34]1.[C:1]([P:2]([C:3]([CH3:4])([CH3:5])[CH3:6])[C:7]([CH3:8])([CH3:9])[CH3:10])([CH3:11])([CH3:12])[CH3:13].[CH3:14][C:15]([CH3:16])([O-:17])[CH3:18].[CH3:35][CH2:36][C:37](=[O:38])[c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[CH3:54][CH2:55][CH2:56][CH2:57][CH2:58][CH3:59].[CH3:60][CH2:61][O:62][C:63]([CH3:64])=[O:65].[Na+:19].[O-:46][C:47]([CH3:48])=[O:49].[O-:50][C:51]([CH3:52])=[O:53].[Pd+2:45]>>[c:21]1([CH:36]([CH3:35])[C:37](=[O:38])[c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[cH:22][cH:23][c:24]([C:25](=[O:26])[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:33][cH:34]1