HRID681164

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID784

Hydrogen peroxide

H2O2

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1003

Dihydrogen phosphate

H2O4P-

HCID6342

Acetonitrile

C2H3N

HCID197148

Chlorite

ClO2-

结构：COc1c(C)c(Cc2cccc(C=O)c2OCc2ccccc2)c(OC)c(OC)c1OC

HCID21919151

未命名化合物

PRODUCTS

生成物

结构：COc1c(C)c(Cc2cccc(C(=O)O)c2OCc2ccccc2)c(OC)c(OC)c1OC

HCID21919209

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e93b5bf8273342e6a04bb8b07e4f32ed
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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