HRID951230

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

HCID67050251

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(C(=O)NN=C(C)c2nn(C)c(-c3ccc(C(C)(C)C)cc3)c2O)cc1O

HCID86604756

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dc49337e8df94ab2a5d736b995ee3c26
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

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][c:27]([OH:35])[c:28]([C:29](=[O:30])[O:31][CH3:32])[cH:33][cH:34]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][c:27]([OH:35])[c:28]([C:29](=[O:30])[O:31][CH3:32])[cH:33][cH:34]3)[n:14][n:15]2[CH3:16])[cH:9][cH:10]1