HRID1146970

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8495

3-Nitrobenzoyl chloride

C7H4ClNO3

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID67351926

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CC(c1ccccc1)n1cnc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21

HCID58653703

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d431237e8796488c8ecc613ecd051e25
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

[CH3:24][CH2:25][N:26]([CH2:27][CH3:28])[CH2:29][CH3:30].[CH3:46][N:47]([c:48]1[cH:49][cH:50][n:51][cH:52][cH:53]1)[CH3:54].[Cl:43][CH2:44][Cl:45].[N+:31](=[O:32])([O-:33])[c:34]1[cH:35][c:36]([C:37](=[O:38])[Cl:39])[cH:40][cH:41][cH:42]1.[NH2:1][c:2]1[cH:3][c:4]2[c:5]([n:6]([CH:9]([CH2:10][C:11](=[O:12])[O:13][CH2:14][CH3:15])[c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[cH:7][n:8]2)[cH:22][cH:23]1>>[NH:1]([c:2]1[cH:3][c:4]2[c:5]([n:6]([CH:9]([CH2:10][C:11](=[O:12])[O:13][CH2:14][CH3:15])[c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[cH:7][n:8]2)[cH:22][cH:23]1)[C:37]([c:36]1[cH:35][c:34]([N+:31](=[O:32])[O-:33])[cH:42][cH:41][cH:40]1)=[O:38]