HRID1214231

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID1292

Mandelic acid

C8H8O3

HCID6212

Chloroform

CHCl3

HCID16958

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

C22H48N+

PRODUCTS

生成物

HCID16958

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

C22H48N+

HCID3839223

Hydroxy(phenyl)acetate

C8H7O3-

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c8f27ed026cf49a3b222659cd81a2a61
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

[CH2:2]([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:38]([Cl:39])([Cl:40])[Cl:41].[Cl-:1].[Na+:37].[OH-:36].[OH:25][CH:26]([C:27]([OH:28])=[O:29])[c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1>>[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].[OH:25][CH:26]([C:27](=[O:28])[O-:29])[c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1