HRID2314478

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID591995

未命名化合物

HCID5360545

Sodium

结构：N=C(N)c1ccc(NC(=O)C(C(=O)O)c2ccccc2)cc1

HCID15907896

未命名化合物

PRODUCTS

生成物

结构：CC(NC(=O)C(C(=O)Nc1ccc(C(=N)N)cc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1

HCID15907897

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0823ec9bad474f3cb4298a3b3e4a553e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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