HRID674181

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID2576

Carisoprodol

C12H24N2O4

HCID3032

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

C14H10Cl2NO2-

PRODUCTS

生成物

HCID2576

Carisoprodol

C12H24N2O4

HCID3033

Diclofenac

C14H11Cl2NO2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fbc0c3fb382c4d3da4268ad27173ce74
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

[CH3:1][CH2:2][CH2:3][C:4]([CH3:5])([CH2:6][O:7][C:8]([NH2:9])=[O:10])[CH2:11][O:12][C:13](=[O:14])[NH:15][CH:16]([CH3:17])[CH3:18].[Na+:19].[O-:20][C:21](=[O:22])[CH2:23][c:24]1[cH:25][cH:26][cH:27][cH:28][c:29]1[NH:30][c:31]1[c:32]([Cl:33])[cH:34][cH:35][cH:36][c:37]1[Cl:38]>>[CH3:1][CH2:2][CH2:3][C:4]([CH3:5])([CH2:6][O:7][C:8]([NH2:9])=[O:10])[CH2:11][O:12][C:13](=[O:14])[NH:15][CH:16]([CH3:17])[CH3:18].[O:20]=[C:21]([OH:22])[CH2:23][c:24]1[cH:25][cH:26][cH:27][cH:28][c:29]1[NH:30][c:31]1[c:32]([Cl:33])[cH:34][cH:35][cH:36][c:37]1[Cl:38]