HRID93209

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID44207289

未命名化合物

结构：COC(=O)c1ccc(NC(=S)NN)cc1[N+](=O)[O-]

HCID86014590

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(NC(=S)NN=C(C)c2csc(-c3ccc(C(C)(C)C)cc3)c2O)cc1[N+](=O)[O-]

HCID72360032

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-16b0d854b1e6400ea6c62f7acd6769f9
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

[C:2]([CH3:3])([CH3:4])([CH3:5])[c:6]1[cH:7][cH:8][c:9](-[c:12]2[s:13][cH:14][c:15]([C:18](=[O:19])[CH3:20])[c:16]2[OH:17])[cH:10][cH:11]1.[CH3:39][N:40]([CH3:41])[CH:42]=[O:43].[ClH:1].[NH:21]([NH2:22])[C:23](=[S:24])[NH:25][c:26]1[cH:27][c:28]([N+:36](=[O:37])[O-:38])[c:29]([C:30](=[O:31])[O:32][CH3:33])[cH:34][cH:35]1>>[C:2]([CH3:3])([CH3:4])([CH3:5])[c:6]1[cH:7][cH:8][c:9](-[c:12]2[s:13][cH:14][c:15]([C:18]([CH3:20])=[N:22][NH:21][C:23](=[S:24])[NH:25][c:26]3[cH:27][c:28]([N+:36](=[O:37])[O-:38])[c:29]([C:30](=[O:31])[O:32][CH3:33])[cH:34][cH:35]3)[c:16]2[OH:17])[cH:10][cH:11]1