HRID285654

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID16028

Tetrabutylammonium

C16H36N+

HCID285093

2-(2-Chloroethyl)-1-methylpyrrolidine

C7H14ClN

HCID20496121

未命名化合物

PRODUCTS

生成物

结构：CN1CCCC1CCN1CCSc2cc([N+](=O)[O-])ccc21

HCID59144083

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ca496c4cb4b74749a929e93bc33f5aff
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br-:24].[CH3:25][CH2:26][CH2:27][CH2:28][N+:29]([CH2:30][CH2:31][CH2:32][CH3:33])([CH2:34][CH2:35][CH2:36][CH3:37])[CH2:38][CH2:39][CH2:40][CH3:41].[Cl:15][CH2:16][CH2:17][CH:18]1[N:19]([CH3:23])[CH2:20][CH2:21][CH2:22]1.[Cl:42][CH2:43][Cl:44].[ClH:14].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]2[c:8]([cH:13]1)[S:9][CH2:10][CH2:11][NH:12]2.[Na+:46].[OH-:45].[OH2:47]>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]2[c:8]([cH:13]1)[S:9][CH2:10][CH2:11][N:12]2[CH2:16][CH2:17][CH:18]1[N:19]([CH3:23])[CH2:20][CH2:21][CH2:22]1