HRID2324620

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8058

n-Hexane

C6H14

HCID8471

Triethylamine

C6H15N

HCID199401

Phosphinic azide, diphenyl-

C12H10N3OP

结构：O=C(O)C(=Cc1ccc(Br)cc1)c1ccc(Cl)cc1Cl

HCID69288722

未命名化合物

PRODUCTS

生成物

HCID63492363

2-(4-Bromophenyl)-1-(2,4-dichlorophenyl)ethan-1-one

C14H9BrCl2O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-56da3843d71a46e3bdd3049893c4cbc4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([CH:8]=[C:9]([C:10]([OH:11])=[O:12])[c:13]2[c:14]([Cl:20])[cH:15][c:16]([Cl:19])[cH:17][cH:18]2)[cH:6][cH:7]1.[CH3:21][CH2:22][N:23]([CH2:24][CH3:25])[CH2:26][CH3:27].[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[CH3:53][CH2:54][CH2:55][CH2:56][CH2:57][CH3:58].[OH2:45].[c:28]1([P:29]([N:30]=[N+:31]=[N-:32])([c:33]2[cH:34][cH:36][cH:37][cH:38][cH:39]2)=[O:35])[cH:40][cH:41][cH:42][cH:43][cH:44]1>>[Br:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][C:9]([c:13]2[c:14]([Cl:20])[cH:15][c:16]([Cl:19])[cH:17][cH:18]2)=[O:35])[cH:6][cH:7]1