HRID687087

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID784

Hydrogen peroxide

H2O2

HCID923

Sodium ion

Na+

3 次

HCID962

Water

H2O

HCID1003

Dihydrogen phosphate

H2O4P-

HCID6342

Acetonitrile

C2H3N

HCID104748

Sulfurous acid, ion(1-)

HO3S-

HCID197148

Chlorite

ClO2-

结构：Cc1c(C=O)c2c(c(C)c1NC(=O)CC(C)(C)C)C(c1ccc(C(C)C)cc1)CO2

HCID23114128

未命名化合物

PRODUCTS

生成物

结构：Cc1c(NC(=O)CC(C)(C)C)c(C)c2c(c1C(=O)O)OCC2c1ccc(C(C)C)cc1

HCID68709958

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6f809606bd194ab0a11f7349b66e0cf2
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

[CH3:49][C:50]#[N:51].[CH:1](=[O:2])[c:3]1[c:4]([CH3:30])[c:5]([NH:22][C:23]([CH2:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29])[c:6]([CH3:21])[c:7]2[c:11]1[O:10][CH2:9][CH:8]2[c:12]1[cH:13][cH:14][c:15]([CH:18]([CH3:19])[CH3:20])[cH:16][cH:17]1.[Cl+:39]([O-:40])[O-:41].[ClH:48].[Na+:31].[Na+:42].[Na+:43].[OH2:52].[OH:32][P:33](=[O:34])([O-:35])[OH:36].[OH:37][OH:38].[OH:44][S:45](=[O:46])[O-:47]>>[C:1](=[O:2])([c:3]1[c:4]([CH3:30])[c:5]([NH:22][C:23]([CH2:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29])[c:6]([CH3:21])[c:7]2[c:11]1[O:10][CH2:9][CH:8]2[c:12]1[cH:13][cH:14][c:15]([CH:18]([CH3:19])[CH3:20])[cH:16][cH:17]1)[OH:32]