HRID1123404

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID126

4-Hydroxybenzaldehyde

C7H6O2

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID7397

p-Toluenesulfonyl chloride

C7H7ClO2S

HCID78894

5-Ethyl-2-pyridineethanol

C9H13NO

HCID124611

Tributylbenzylammonium

C19H34N+

PRODUCTS

生成物

HCID9881522

4-[2-(5-Ethylpyridin-2-yl)ethoxy]benzaldehyde

C16H17NO2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7f60f35e54e042438b74d1fd47d6eee6
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

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