HRID1225683

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

HCID7841

Allyl bromide

C3H5Br

HCID16028

Tetrabutylammonium

C16H36N+

HCID55445

(±)-Preclamol

C14H21NO

HCID61778

Bisulfate anion

HO4S-

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

HCID13687868

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-91636e25ab344c3ab3c983bb77f3fb2f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:18]([CH:19]=[CH2:20])[Br:21].[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])[CH2:43][CH2:44][CH3:45].[CH2:2]([CH2:3][CH3:4])[N:5]1[CH2:6][CH:7]([c:11]2[cH:12][c:13]([OH:17])[cH:14][cH:15][cH:16]2)[CH2:8][CH2:9][CH2:10]1.[Cl:46][CH2:47][Cl:48].[ClH:1].[Na+:23].[OH-:22].[S:24]([O-:25])([OH:26])(=[O:27])=[O:28]>>[CH2:2]([CH2:3][CH3:4])[N:5]1[CH2:6][CH:7]([c:11]2[cH:12][c:13]([O:17][CH2:20][CH:19]=[CH2:18])[cH:14][cH:15][cH:16]2)[CH2:8][CH2:9][CH2:10]1.[ClH:1]