HRID944126

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1

HCID6

1-Chloro-2,4-dinitrobenzene

C6H3ClN2O4

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID7918

Acetic anhydride

C4H6O3

HCID11976

2,4-Diaminoanisole

C7H10N2O

HCID80779

3'-Amino-4'-methoxyacetanilide

C9H12N2O2

HCID153420

Acetamide, N,N'-(4-methoxy-1,3-phenylene)bis-

C11H14N2O3

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

HCID80779

3'-Amino-4'-methoxyacetanilide

C9H12N2O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-281d4ea4a7c0461aa6c1b0a9b6a09f5b
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:37]([NH:38][c:39]1[cH:40][c:41]([NH:42][C:43](=[O:44])[CH3:45])[cH:46][cH:47][c:48]1[O:49][CH3:50])(=[O:51])[CH3:52].[CH3:17][C:18]([O:19][C:20](=[O:21])[CH3:22])=[O:23].[CH3:24][O:25][c:26]1[cH:27][cH:28][c:29]([NH:33][C:34]([CH3:35])=[O:36])[cH:30][c:31]1[NH2:32].[CH3:63][OH:64].[ClH:1].[N+:2]([c:3]1[cH:4][c:5]([N+:6]([O-:7])=[O:8])[cH:9][cH:10][c:11]1[Cl:14])([O-:12])=[O:13].[NH2:53][c:54]1[cH:55][c:56]([NH2:57])[cH:58][cH:59][c:60]1[O:61][CH3:62].[Na+:16].[OH-:15]>>[CH3:24][O:25][c:26]1[cH:27][cH:28][c:29]([NH:33][C:34]([CH3:35])=[O:36])[cH:30][c:31]1[NH2:32].[ClH:14]