HRID93530

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID1140

Toluene

C7H8

HCID2681

Alkyl trimethyl ammonium compound C16 (ATMAC C16)

C19H42N+

HCID7835

Epichlorohydrin

C3H5ClO

HCID14877785

未命名化合物

PRODUCTS

产物

HCID14877786

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-80f5433117454cb4a52979b1a0dcd61b
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

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