HRID195658

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

HCID16028

Tetrabutylammonium

C16H36N+

HCID2759361

3-Iodobenzyl bromide

C7H6BrI

HCID58460178

未命名化合物

PRODUCTS

生成物

HCID58460152

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-31572b37ab634c599fa7262113a0f3b5
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-:23].[Br:1][CH2:2][c:3]1[cH:4][c:5]([I:9])[cH:6][cH:7][cH:8]1.[CH3:10][CH:11]([CH3:12])[c:13]1[n:14][c:15]2[c:16]([nH:17]1)[CH2:18][CH2:19][CH2:20][C:21]2=[O:22].[CH3:24][CH2:25][CH2:26][CH2:27][N+:28]([CH2:29][CH2:30][CH2:31][CH3:32])([CH2:33][CH2:34][CH2:35][CH3:36])[CH2:37][CH2:38][CH2:39][CH3:40].[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[Na+:49].[OH-:48]>>[CH2:2]([c:3]1[cH:4][c:5]([I:9])[cH:6][cH:7][cH:8]1)[n:14]1[c:13]([CH:11]([CH3:10])[CH3:12])[n:17][c:16]2[c:15]1[C:21](=[O:22])[CH2:20][CH2:19][CH2:18]2