HRID2161656

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7482

4-Nitrobenzyl chloride

C7H6ClNO2

HCID8857

Ethyl acetate

C4H8O2

HCID166653

Hydride

H-

HCID22632554

未命名化合物

PRODUCTS

生成物

结构：O=C(c1ccc(Cl)cc1)N1CC(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2C1

HCID22632469

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f2d90af340e24f34b3be99ac446b2b55
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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