HRID2336014

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

3 次

HCID962

Water

H2O

HCID1086

Dithionite

O4S2-2

HCID3283

Diethyl Ether

C4H10O

HCID6344

Dichloromethane

CH2Cl2

HCID16028

Tetrabutylammonium

C16H36N+

HCID31275

1,4-Dioxane

C4H8O2

结构：COc1cc(C#N)c([N+](=O)[O-])cc1OCc1ccccc1

HCID11673618

未命名化合物

PRODUCTS

生成物

HCID11701584

2-AMINO-4-(BENZYLOXY)-5-METHOXYBENZONITRILE

C15H14N2O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1cf5212763b44a9cb41dc32f6ea731d7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:22](=[O:23])([OH:24])[O-:25].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([O:20][CH3:21])[cH:11][c:12]([C:13]#[N:14])[c:15]([N+:17]([O-:18])=[O:19])[cH:16]1.[CH2:36]1[O:37][CH2:38][CH2:39][O:40][CH2:41]1.[CH3:43][CH2:44][CH2:45][CH2:46][N+:47]([CH2:48][CH2:49][CH2:50][CH3:51])([CH2:52][CH2:53][CH2:54][CH3:55])[CH2:56][CH2:57][CH2:58][CH3:59].[CH3:60][CH2:61][O:62][CH2:63][CH3:64].[Cl-:42].[Cl:65][CH2:66][Cl:67].[ClH:35].[Na+:26].[Na+:33].[Na+:34].[OH2:68].[S:27]([S:28]([O-:29])=[O:30])([O-:31])=[O:32]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([O:20][CH3:21])[cH:11][c:12]([C:13]#[N:14])[c:15]([NH2:17])[cH:16]1