HRID308748

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID44207289

未命名化合物

HCID67050072

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(C(=O)NN=C(C)c2csc(-c3ccc(C(C)(C)C)cc3)c2O)cc1NC(C)=O

HCID86604757

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f852101e06504ec5aede69fe59a68d4a
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

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