HRID126465

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

HCID946

Nitrite ion

NO2-

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID4049

1-Deoxy-1-(methylamino)hexitol

C7H17NO5

HCID6344

Dichloromethane

CH2Cl2

HCID9015

4-Methoxyphenol

C7H8O2

HCID13140

Acrylyl chloride

C3H3ClO

HCID31275

1,4-Dioxane

C4H8O2

HCID14766062

未命名化合物

PRODUCTS

生成物

HCID14766064

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c92e70ef84c341fcbd0f3b015448d4dc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:20]([CH:21]=[CH2:22])(=[O:23])[Cl:24].[C:25]([NH:26][CH:27]([CH:28]([CH:29]([CH:30]([CH2:31][OH:32])[OH:33])[OH:34])[OH:35])[CH2:36][OH:37])(=[O:38])[CH:39]=[CH2:40].[CH2:57]([Cl:58])[Cl:59].[CH3:1][NH:2][CH2:3][CH:4]([OH:5])[CH:6]([OH:7])[CH:8]([OH:9])[CH:10]([OH:11])[CH2:12][OH:13].[CH3:41][O:42][c:43]1[cH:44][cH:45][c:46]([OH:47])[cH:48][cH:49]1.[K+:19].[N:14]([O-:15])=[O:16].[Na+:17].[O:51]1[CH2:52][CH2:53][O:54][CH2:55][CH2:56]1.[OH-:18].[OH2:50]>>[CH3:1][N:2]([CH2:3][CH:4]([OH:5])[CH:6]([OH:7])[CH:8]([OH:9])[CH:10]([OH:11])[CH2:12][OH:13])[C:20]([CH:21]=[CH2:22])=[O:23]