HRID2159419

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

HCID2737529

1-[2-Fluoro-3-(trifluoromethyl)phenyl]ethan-1-one

C9H6F4O

PRODUCTS

产物

HCID2778779

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-65cad806da8e483991c381d9597a9f1d
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-:15].[Br-:16].[Br-:17].[C:53](=[O:54])([O-:55])[OH:56].[CH3:48][CH2:49][O:50][CH2:51][CH3:52].[F:1][c:2]1[c:3]([C:12]([CH3:13])=[O:14])[cH:4][cH:5][cH:6][c:7]1[C:8]([F:9])([F:10])[F:11].[Na+:57].[c:18]1([N+:19]([CH3:20])([CH3:21])[CH3:22])[cH:23][cH:24][cH:25][cH:26][cH:27]1.[c:28]1([N+:29]([CH3:30])([CH3:31])[CH3:32])[cH:33][cH:34][cH:35][cH:36][cH:37]1.[c:38]1([N+:39]([CH3:40])([CH3:41])[CH3:42])[cH:43][cH:44][cH:45][cH:46][cH:47]1>>[F:1][c:2]1[c:3]([C:12]([CH2:13][Br:15])=[O:14])[cH:4][cH:5][cH:6][c:7]1[C:8]([F:9])([F:10])[F:11]