HRID302294

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID176

Acetic Acid

C2H4O2

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

3 次

HCID946

Nitrite ion

NO2-

HCID961

Hydroxide

HO-

HCID962

Water

H2O

4 次

HCID7022

6-Amino-4-hydroxynaphthalene-2-sulfonic acid

C10H9NO4S

HCID12032

Benzoic acid, 2-amino-5-nitro-

C7H6N2O4

HCID5360545

Sodium

PRODUCTS

生成物

结构：Nc1ccc2cc(S(=O)(=O)O)cc(O)c2c1N=Nc1ccc([N+](=O)[O-])cc1C(=O)O

HCID135850713

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4fb6f61217014e488836ae319bcd6fc7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:39]([O-:40])(=[O:41])[CH3:42].[CH3:47][C:48](=[O:49])[OH:50].[ClH:18].[N:14]([O-:15])=[O:16].[NH2:1][c:2]1[cH:3][cH:4][c:5]([N+:11]([O-:12])=[O:13])[cH:6][c:7]1[C:8]([OH:9])=[O:10].[NH2:20][c:21]1[cH:22][cH:23][c:24]2[cH:25][c:26]([S:32](=[O:33])(=[O:34])[OH:35])[cH:27][c:28]([OH:31])[c:29]2[cH:30]1.[Na+:17].[Na+:43].[Na+:46].[Na:19].[OH-:45].[OH2:36].[OH2:37].[OH2:38].[OH2:44]>>[N:1]([c:2]1[cH:3][cH:4][c:5]([N+:11]([O-:12])=[O:13])[cH:6][c:7]1[C:8]([OH:9])=[O:10])=[N:14][c:30]1[c:21]([NH2:20])[cH:22][cH:23][c:24]2[cH:25][c:26]([S:32](=[O:33])(=[O:34])[OH:35])[cH:27][c:28]([OH:31])[c:29]21