HRID692679

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID961

Hydroxide

HO-

HCID962

Water

H2O

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID7723

4-Chlorobenzyl chloride

C7H6Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID16028

Tetrabutylammonium

C16H36N+

HCID30165

Iodide ion

I-

HCID104967

Cesium(1+)

Cs+

HCID66436791

未命名化合物

PRODUCTS

生成物

结构：CC(=O)C(C)(Cc1ccc(Cl)cc1)c1cccc(Br)c1

HCID68675648

3-(3-Bromophenyl)-4-(4-chlorophenyl)-3-methyl-2-butanone

C17H16BrClO

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-466540b7b11847839081589caef9ddb8
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[cH:3][c:4]([CH:8]([C:9]([CH3:10])=[O:11])[CH3:12])[cH:5][cH:6][cH:7]1.[CH2:31]([Cl:32])[Cl:33].[CH2:35]([N+:36]([CH2:37][CH2:38][CH2:39][CH3:40])([CH2:41][CH2:42][CH2:43][CH3:44])[CH2:45][CH2:46][CH2:47][CH3:48])[CH2:49][CH2:50][CH3:51].[CH3:25][CH2:26][O:27][C:28](=[O:29])[CH3:30].[Cl:13][c:14]1[cH:15][cH:16][c:17]([CH2:18][Cl:19])[cH:20][cH:21]1.[Cs+:24].[I-:34].[OH-:23].[OH2:22].[OH2:52]>>[Br:1][c:2]1[cH:3][c:4]([C:8]([C:9]([CH3:10])=[O:11])([CH3:12])[CH2:18][c:17]2[cH:16][cH:15][c:14]([Cl:13])[cH:21][cH:20]2)[cH:5][cH:6][cH:7]1