HRID671372

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID3032

Arthrotec

C14H10Cl2NO2-

HCID6212

Chloroform

CHCl3

HCID16958

Dialkyl dimethyl ammonium compound C10:C10 (DADMAC C10:C10)

C22H48N+

PRODUCTS

产物

HCID3032

Arthrotec

C14H10Cl2NO2-

HCID16958

Dialkyl dimethyl ammonium compound C10:C10 (DADMAC C10:C10)

C22H48N+

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-084e971560d34ec0915524b828e645e2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应SMILES

[CH2:2]([CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH3:11])[N+:12]([CH3:13])([CH3:14])[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH3:24].[CH:46]([Cl:47])([Cl:48])[Cl:49].[Cl-:1].[Na+:26].[O-:27][C:28](=[O:29])[CH2:30][c:31]1[cH:32][cH:33][cH:34][cH:35][c:36]1[NH:37][c:38]1[c:39]([Cl:40])[cH:41][cH:42][cH:43][c:44]1[Cl:45].[OH2:25]>>[CH2:2]([CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH3:11])[N+:12]([CH3:13])([CH3:14])[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH3:24].[O:27]=[C:28]([O-:29])[CH2:30][c:31]1[cH:32][cH:33][cH:34][cH:35][c:36]1[NH:37][c:38]1[c:39]([Cl:40])[cH:41][cH:42][cH:43][c:44]1[Cl:45]