HRID1234298

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID8072

2-(Ethylamino)ethanol

C4H11NO

HCID19660

Carbonate

CO3-2

HCID68023

4-Fluorobenzaldehyde

C7H5FO

结构：CCCCCCCC(=O)[N+](C)(C(=O)CCCCCCC)C(=O)CCCCCCC

HCID14345102

未命名化合物

PRODUCTS

生成物

HCID639857

4-[ethyl(2-hydroxyethyl)amino]benzaldehyde

C11H15NO2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-45add221182b4429995c6f0c80e46341
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

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