HRID194365

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID19660

Carbonate Ion

CO3-2

HCID67854

Benzoic acid, 2-fluoro-, methyl ester

C8H7FO2

HCID57572172

未命名化合物

PRODUCTS

产物

HCID58992625

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-7c56b11cc40643ec9b744b603170a720
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

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