HRID663086

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

HCID166653

Hydride

H-

HCID3776998

未命名化合物

反应SMILES：CC(C)(C)c1cc(C=C2Sc3ccccc3NC2=O)cc(C(C)(C)C)c1O

HCID53806442

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(C)c1cc(C=C2Sc3ccccc3N(CS(=O)(=O)O)C2=O)cc(C(C)(C)C)c1O

HCID57086473

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-c8cd8f878e0c422e9191632d55a65b26
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

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