HRID290946

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID7061

N,N-Diethylaniline

C10H15N

HCID24813

Phosphoric trichloride

Cl3OP

HCID520488

5-nitropyridine-2-carboxylic acid

C6H4N2O4

HCID59457937

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(Nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cn3)cc2)nc(N)n1

HCID59458006

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-943e9c1dbfb04589adfc4bc37af5695d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:30]([N:31]([CH2:32][CH3:33])[c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1)[CH3:40].[ClH:13].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([C:10](=[O:11])[OH:12])[n:8][cH:9]1.[NH2:14][c:15]1[cH:16][cH:17][c:18]([NH:21][c:22]2[n:23][c:24]([NH2:29])[n:25][c:26]([CH3:28])[cH:27]2)[cH:19][cH:20]1.[P:41]([Cl:42])([Cl:43])([Cl:44])=[O:45]>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([C:10](=[O:12])[NH:14][c:15]2[cH:16][cH:17][c:18]([NH:21][c:22]3[n:23][c:24]([NH2:29])[n:25][c:26]([CH3:28])[cH:27]3)[cH:19][cH:20]2)[n:8][cH:9]1