HRID1136615

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID3032

Benzeneacetic acid, 2-[(2,6-dichlorophenyl)amino]-, ion(1-)

C14H10Cl2NO2-

HCID3776

Isopropanol

C3H8O

HCID3924

未命名化合物

PRODUCTS

生成物

HCID3033

Diclofenac

C14H11Cl2NO2

HCID3676

Lidocaine

C14H22N2O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5bcdcb8b8bb24ca2b8c52d827b18928b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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