HRID152010

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID16028

Tetrabutylammonium

C16H36N+

HCID19660

Carbonate

CO3-2

HCID10987288

(4-BROMO-3-METHYLPHENYL)METHANOL

C8H9BrO

HCID21708089

未命名化合物

PRODUCTS

生成物

HCID67009731

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-468e1f3ac6234364b9dda3a5d46e1f4f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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