HRID2153082

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID674

Dimethylamine

C2H7N

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6212

Chloroform

CHCl3

HCID19660

Carbonate

CO3-2

HCID24386

Thionyl chloride

Cl2OS

HCID2756959

4-Bromo-2,2-diphenylbutyric acid

C16H15BrO2

HCID22250066

未命名化合物

PRODUCTS

生成物

HCID259

Bromide

Br-

HCID2723590

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1c2268a372c84239b90d7e2128afbb77
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:1][CH2:2][CH2:3][C:4]([C:5](=[O:6])[OH:7])([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1.[Br:33][CH2:34][CH2:35][C:36]([c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1)([c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1)[C:49]([Cl:50])=[O:51].[C:27](=[O:28])([O-:29])[O-:30].[CH3:24][NH:25][CH3:26].[CH3:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[Cl:52][CH:53]([Cl:54])[Cl:55].[Na+:31].[Na+:32].[OH2:56].[S:20]([Cl:21])([Cl:22])=[O:23]>>[Br-:1].[CH2:2]1[CH2:3][C:4]([c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[C:5](=[N+:25]([CH3:24])[CH3:26])[O:6]1