HRID1558345

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID1049

Pyridine

C5H5N

HCID8857

Ethyl acetate

C4H8O2

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：COc1cc(NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)ccc1NS(C)(=O)=O

HCID59347098

未命名化合物

PRODUCTS

生成物

结构：COc1cc(NC(=O)c2ccc(NS(C)(=O)=O)c(OC)c2)ccc1NS(C)(=O)=O

HCID59347093

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eb7fe3be5e8e45878fc6254a3bd1252c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:1][O:2][c:3]1[cH:4][c:5]([C:6](=[O:7])[NH:8][c:9]2[cH:10][c:11]([O:20][CH3:21])[c:12]([NH:15][S:16](=[O:17])(=[O:18])[CH3:19])[cH:13][cH:14]2)[cH:22][cH:23][c:24]1[N+:25]([O-:26])=[O:27].[CH3:28][S:29]([Cl:30])(=[O:31])=[O:32].[CH3:34][OH:35].[CH3:36][CH2:37][O:38][C:39](=[O:40])[CH3:41].[ClH:33].[cH:42]1[cH:43][cH:44][n:45][cH:46][cH:47]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]([C:6](=[O:7])[NH:8][c:9]2[cH:10][c:11]([O:20][CH3:21])[c:12]([NH:15][S:16](=[O:17])(=[O:18])[CH3:19])[cH:13][cH:14]2)[cH:22][cH:23][c:24]1[NH:25][S:29]([CH3:28])(=[O:31])=[O:32]