HRID312086

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID4985762

3-(Dimethylsulfamoyl)benzoic acid

C9H11NO4S

结构：CC(C)C(N)C(=O)N1CCC(O)(c2ccc(Cl)cc2)C(C)(C)C1

HCID67092498

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)N1CCC(O)(c2ccc(Cl)cc2)C(C)(C)C1

HCID67299465

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8794d042ecea404496693122b70b425d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:25][N:26]([S:27](=[O:28])(=[O:29])[c:30]1[cH:31][c:32]([C:33](=[O:34])[OH:35])[cH:36][cH:37][cH:38]1)[CH3:39].[ClH:24].[NH2:1][CH:2]([C:3](=[O:4])[N:5]1[CH2:6][C:7]([CH3:19])([CH3:20])[C:8]([OH:11])([c:12]2[cH:13][cH:14][c:15]([Cl:18])[cH:16][cH:17]2)[CH2:9][CH2:10]1)[CH:21]([CH3:22])[CH3:23]>>[NH:1]([CH:2]([C:3](=[O:4])[N:5]1[CH2:6][C:7]([CH3:19])([CH3:20])[C:8]([OH:11])([c:12]2[cH:13][cH:14][c:15]([Cl:18])[cH:16][cH:17]2)[CH2:9][CH2:10]1)[CH:21]([CH3:22])[CH3:23])[C:33]([c:32]1[cH:31][c:30]([S:27]([N:26]([CH3:25])[CH3:39])(=[O:28])=[O:29])[cH:38][cH:37][cH:36]1)=[O:34]