HRID1564520

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8502

4-Nitrobenzoyl chloride

C7H4ClNO3

反应SMILES：CCOC(=O)CC(c1ccccc1)n1cnc2ccc(N)cc21

HCID67351765

未命名化合物

PRODUCTS

产物

反应SMILES：CCOC(=O)CC(c1ccccc1)n1cnc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc21

HCID58653684

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-0a1820792dea41688e4e43cec25a9391
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

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