HRID98688

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID5360545

Sodium

HCID11322445

未命名化合物

HCID59662626

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)no1

HCID58198712

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c91c024ba0a946a0a0e203d04927e0c9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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