HRID113359

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID1140

Toluene

C7H8

HCID14454

2,2-Dimethylbutanol

C6H14O

HCID16028

Tetrabutylammonium

C16H36N+

HCID13849241

未命名化合物

PRODUCTS

生成物

HCID14878968

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e95700f438d44b14b5f6016b3e9d3ab9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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