HRID799143

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID944

Nitric Acid

HNO3

HCID946

Nitrite ion

NO2-

HCID6365

1,1-Dichloroethane

C2H4Cl2

结构：CCC(CC)N(N=O)c1c([N+](=O)[O-])cc(C)c(C)c1[N+](=O)[O-]

HCID50260

Nitroso-pendimethalin

C13H18N4O5

HCID91984

N-(1-Ethylpropyl)-3,4-xylidine

C13H21N

结构：CCC(CC)N(C1=C([N+](=O)[O-])C=C(C)C(C)([N+](=O)[O-])C1)[N+](=O)[O-]

HCID86754080

未命名化合物

PRODUCTS

生成物

结构：CCC(CC)Nc1c([N+](=O)[O-])cc(C)c(C)c1[N+](=O)[O-]

HCID38479

Pendimethalin

C13H19N3O4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c63b2b4c8a344d3aa9e792b490e60452
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:1]([CH:2]([NH:3][c:4]1[cH:5][cH:6][c:7]([CH3:8])[c:9]([CH3:10])[cH:11]1)[CH2:12][CH3:13])[CH3:14].[Cl:68][CH:69]([Cl:70])[CH3:71].[N+:45]([N:46]([CH:47]([CH2:48][CH3:49])[CH2:50][CH3:51])[C:52]1=[C:62]([N+:63]([O-:64])=[O:65])[CH:61]=[C:59]([CH3:60])[C:54]([N+:55]([O-:56])=[O:57])([CH3:58])[CH2:53]1)([O-:66])=[O:67].[N:19]([O-:20])=[O:21].[N:23](=[O:24])[N:25]([c:26]1[c:27]([N+:37](=[O:38])[O-:39])[c:28]([CH3:36])[c:29]([CH3:35])[cH:30][c:31]1[N+:32](=[O:33])[O-:34])[CH:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[Na+:22].[OH:15][N+:16](=[O:17])[O-:18]>>[NH:25]([c:26]1[c:27]([N+:37](=[O:38])[O-:39])[c:28]([CH3:36])[c:29]([CH3:35])[cH:30][c:31]1[N+:32](=[O:33])[O-:34])[CH:40]([CH2:41][CH3:42])[CH2:43][CH3:44]