HRID1136390

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7475

4-Nitrobenzenamine

C6H6N2O2

HCID8471

Triethylamine

C6H15N

HCID24386

Thionyl chloride

Cl2OS

HCID12896000

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(Nc2ccncc2)cc1

HCID59457978

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-530a9b05a5884395b7fe82651078f275
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[N+:22](=[O:23])([O-:24])[c:25]1[cH:26][cH:27][c:28]([NH2:29])[cH:30][cH:31]1.[NH3:32].[O:17]=[CH:18][N:19]([CH3:20])[CH3:21].[OH2:37].[S:33]([Cl:34])([Cl:35])=[O:36].[cH:45]1[cH:46][cH:47][n:48][cH:49][cH:50]1.[n:1]1[cH:2][cH:3][c:4]([NH:7][c:8]2[cH:9][cH:10][c:11]([C:12](=[O:13])[OH:14])[cH:15][cH:16]2)[cH:5][cH:6]1>>[n:1]1[cH:2][cH:3][c:4]([NH:7][c:8]2[cH:9][cH:10][c:11]([C:12](=[O:14])[NH:29][c:28]3[cH:27][cH:26][c:25]([N+:22](=[O:23])[O-:24])[cH:31][cH:30]3)[cH:15][cH:16]2)[cH:5][cH:6]1