HRID91994

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

2 次

HCID1118

Sulfuric acid

H2O4S

HCID24503

Dichromate

Cr2O7-2

HCID82189

2-Bromo-4-nitrotoluene

C7H6BrNO2

HCID22986171

未命名化合物

PRODUCTS

产物

HCID313534

2-Bromo-4-nitrobenzoic acid

C7H4BrNO4

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-0d7f7a8b13814c5baf5a2a831fe15d10
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

[Br:40][c:41]1[c:42]([CH3:50])[cH:43][cH:44][c:45]([N+:47](=[O:48])[O-:49])[cH:46]1.[CH3:56][C:57](=[O:58])[OH:59].[Cr:29]([O:30][Cr:31]([O-:32])(=[O:33])=[O:34])([O-:35])(=[O:36])=[O:37].[NH2:1][c:2]1[cH:3][cH:4][c:5]([C:6]([NH:7][CH:8]([CH2:9][CH2:10][S:11][CH3:12])[C:13]([O:14][CH3:15])=[O:16])=[O:17])[c:18]([CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:26]1.[Na+:38].[Na+:39].[OH2:27].[OH2:28].[S:51](=[O:52])(=[O:53])([OH:54])[OH:55]>>[O:27]=[C:50]([OH:28])[c:42]1[c:41]([Br:40])[cH:46][c:45]([N+:47](=[O:48])[O-:49])[cH:44][cH:43]1