HRID2129314

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID67050214

未命名化合物

结构：Cn1nc(C(=O)c2ccccc2)c(O)c1-c1ccc(C(C)(C)C)cc1

HCID67050263

未命名化合物

PRODUCTS

生成物

结构：CNS(=O)(=O)c1ccc(C(=O)NN=C(c2ccccc2)c2nn(C)c(-c3ccc(C(C)(C)C)cc3)c2O)cc1

HCID72359991

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9de7c72382a54ff394ba3c87f0ab23e7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[c:12]([OH:25])[c:13]([C:17](=[O:18])[c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[n:14][n:15]2[CH3:16])[cH:9][cH:10]1.[CH:41]([OH:42])([CH3:43])[CH3:44].[NH:26]([NH2:27])[C:28](=[O:29])[c:30]1[cH:31][cH:32][c:33]([S:36](=[O:37])(=[O:38])[NH:39][CH3:40])[cH:34][cH:35]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[c:12]([OH:25])[c:13]([C:17]([c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)=[N:27][NH:26][C:28](=[O:29])[c:30]3[cH:31][cH:32][c:33]([S:36](=[O:37])(=[O:38])[NH:39][CH3:40])[cH:34][cH:35]3)[n:14][n:15]2[CH3:16])[cH:9][cH:10]1