HRID186115

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

3 次

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID3283

Diethyl Ether

C4H10O

HCID15914

Phenyltrimethylammonium

C9H14N+

3 次

HCID9942601

1-(2-Methoxy-5-trifluoromethylphenyl)ethanone

C10H9F3O2

PRODUCTS

生成物

HCID82634870

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-366e52317e3646e0af8e79fb1e7cfa18
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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