HRID1555527

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

结构：CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccncc3)cc2)n(-c2ccc([N+](=O)[O-])cc2)n1

HCID53630190

未命名化合物

HCID178418361

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccncc3)cc2)n(-c2ccc(N)cc2)n1

HCID53630189

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9056720b8e5c43dca3700b5b9dc9dede
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:19][C:20](=[O:21])[NH:22][c:23]2[cH:24][cH:25][c:26]([O:29][c:30]3[cH:31][cH:32][n:33][cH:34][cH:35]3)[cH:27][cH:28]2)[n:8](-[c:10]2[cH:11][cH:12][c:13]([N+:16]([O-:17])=[O:18])[cH:14][cH:15]2)[n:9]1.[CH3:38][CH2:39][OH:40].[H:36][H:37]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:19][C:20](=[O:21])[NH:22][c:23]2[cH:24][cH:25][c:26]([O:29][c:30]3[cH:31][cH:32][n:33][cH:34][cH:35]3)[cH:27][cH:28]2)[n:8](-[c:10]2[cH:11][cH:12][c:13]([NH2:16])[cH:14][cH:15]2)[n:9]1