HRID1140186

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

3 次

HCID6386

tert-Butyl alcohol

C4H10O

HCID10553

2-Methyl-2-butene

C5H10

HCID197148

Chlorite

ClO2-

HCID3681305

Hydrogen phosphate

HO4P-2

结构：COc1ccc(Oc2c(C)cc([N+](=O)[O-])c3c2CCC3)cc1C=O

HCID23031205

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Oc2c(C)cc([N+](=O)[O-])c3c2CCC3)cc1C(=O)O

HCID23031187

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-35a0372c60ec4772af03be63f057d4a0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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