HRID1222811

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID784

Hydrogen peroxide

H2O2

HCID923

Sodium ion

Na+

2 次

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID78966

9-Borabicyclo[3.3.1]nonane

C8H15B

HCID104748

Sulfurous acid, ion(1-)

HO3S-

结构：C=CCc1cccn(-c2ccc([N+](=O)[O-])cc2C)c1=O

HCID59410135

未命名化合物

PRODUCTS

生成物

结构：Cc1cc([N+](=O)[O-])ccc1-n1cccc(CCCO)c1=O

HCID59410191

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c90d4db4ecce427dbd63c34474602299
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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