HRID952676

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

2 次

HCID944

Nitric Acid

HNO3

HCID947

Nitrogen

HCID961

Hydroxide

HO-

HCID7918

Acetic anhydride

C4H6O3

结构：COc1ccc(C(=O)OCc2ccccc2)cc1OCc1ccccc1

HCID22070447

未命名化合物

PRODUCTS

生成物

结构：COc1cc([N+](=O)[O-])c(C(=O)OCc2ccccc2)cc1OCc1ccccc1

HCID59362000

Benzyl 5-(benzyloxy)-4-methoxy-2-nitrobenzoate

C22H19NO6

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4dd8de74e4884e97a62ee0b5c20e27b7
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

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11]([C:12](=[O:13])[O:14][CH2:15][c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[cH:22][cH:23][c:24]1[O:25][CH3:26].[CH3:40][C:41]([O:42][C:43]([CH3:44])=[O:45])=[O:46].[N:27]#[N:28].[Na+:34].[Na+:39].[O-:35][C:36]([OH:37])=[O:38].[OH-:33].[OH:29][N+: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[cH:10][c:11]([C:12](=[O:13])[O:14][CH2:15][c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[c:22]([N+:30](=[O:29])[O-:31])[cH:23][c:24]1[O:25][CH3:26]