HRID213900

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

结构：O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O

HCID4477

5-Chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide

C13H8Cl2N2O4

HCID6212

Chloroform

CHCl3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID357864

2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetic acid

C7H10O5

PRODUCTS

生成物

结构：CC1(C)OC(=O)C(CC(=O)Oc2ccc(Cl)cc2C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)O1

HCID44241101

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3229c74069eb460f83d10329a0743e43
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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