HRID200579

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID8857

Ethyl acetate

C4H8O2

结构：COC(=O)c1cccc([N+](=O)[O-])c1-c1ccc(-c2sccc2NS(=O)(=O)C(C)C)cc1

HCID69254991

未命名化合物

HCID86613172

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cccc(N)c1-c1ccc(-c2sccc2NS(=O)(=O)C(C)C)cc1

HCID69253462

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d29cd6774bbb4533880be8322c306073
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

[Br:1][c:2]1[cH:3][c:4]([F:5])[c:6]([O:7][C:8](=[O:9])[C:10]([CH3:11])([CH3:12])[CH3:13])[c:14]([F:15])[c:16]1[C:17]#[N:18].[CH3:19][O:20][C:21](=[O:22])[c:23]1[c:24](-[c:32]2[cH:33][cH:34][c:35](-[c:38]3[s:39][cH:40][cH:41][c:42]3[NH:43][S:44](=[O:45])(=[O:46])[CH:47]([CH3:48])[CH3:49])[cH:36][cH:37]2)[c:25]([N+:29]([O-:30])=[O:31])[cH:26][cH:27][cH:28]1.[CH3:50][CH2:51][O:52][C:53]([CH3:54])=[O:55].[CH3:56][CH2:57][OH:58]>>[CH3:19][O:20][C:21](=[O:22])[c:23]1[c:24](-[c:32]2[cH:33][cH:34][c:35](-[c:38]3[s:39][cH:40][cH:41][c:42]3[NH:43][S:44](=[O:45])(=[O:46])[CH:47]([CH3:48])[CH3:49])[cH:36][cH:37]2)[c:25]([NH2:29])[cH:26][cH:27][cH:28]1