HRID1571532

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

HCID67050217

Methyl 2-bromo-4-hydrazinocarbonylbenzoate

C9H9BrN2O3

PRODUCTS

生成物

结构：COC(=O)c1ccc(C(=O)NN=C(C)c2nn(C)c(-c3ccc(C(C)(C)C)cc3)c2O)cc1Br

HCID86604755

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6d9527c126a24af3b50a6c2d071f3eae
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:21][c:22]1[c:23]([C:24](=[O:25])[O:26][CH3:27])[cH:28][cH:29][c:30]([C:32](=[O:33])[NH:34][NH2:35])[cH:31]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])=[O:19])[n:14][n:15]2[CH3:16])[cH:9][cH:10]1.[CH:36]([OH:37])([CH3:38])[CH3:39]>>[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:35][NH:34][C:32]([c:30]3[cH:29][cH:28][c:23]([C:24](=[O:25])[O:26][CH3:27])[c:22]([Br:21])[cH:31]3)=[O:33])[n:14][n:15]2[CH3:16])[cH:9][cH:10]1