HRID2145252

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

结构：CC(=O)c1nn(C)c(-c2ccc(C(C)(C)C)cc2)c1O

HCID67050084

未命名化合物

HCID67050214

未命名化合物

PRODUCTS

生成物

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

HCID72360102

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1a7ee77435544b19a6045091e97c5534
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:20])[c:13]([C:17]([CH3:18])=[O:19])[n:14][n:15]2[CH3:16])[cH:9][cH:10]1.[CH:36]([OH:37])([CH3:38])[CH3:39].[NH:21]([NH2:22])[C:23](=[O:24])[c:25]1[cH:26][cH:27][c:28]([S:31](=[O:32])(=[O:33])[NH:34][CH3:35])[cH:29][cH:30]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[c:12]([OH:20])[c:13]([C:17]([CH3:18])=[N:22][NH:21][C:23](=[O:24])[c:25]3[cH:26][cH:27][c:28]([S:31](=[O:32])(=[O:33])[NH:34][CH3:35])[cH:29][cH:30]3)[n:14][n:15]2[CH3:16])[cH:9][cH:10]1