HRID97820

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8020

Dimethoxymethane

C3H8O2

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID2734352

4-Ethylphenylboronic acid

C8H11BO2

HCID86248732

未命名化合物

PRODUCTS

生成物

结构：CCc1ccc(-c2ccc(CC(=O)NCc3cccc(F)c3)cn2)cc1

HCID11595453

2-[6-(4-ethyl-phenyl)-pyridin-3-yl]-N-(3-fluoro-benzyl)-acetamide

C22H21FN2O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-41f07f174e90437f9e96d195980b5e11
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:31](=[O:32])([O-:33])[O-:34].[CH2:20]([CH3:21])[c:22]1[cH:23][cH:24][c:25]([B:28]([OH:29])[OH:30])[cH:26][cH:27]1.[CH3:37][O:38][CH2:39][CH2:40][O:41][CH3:42].[CH3:43][O:44][CH2:45][O:46][CH3:47].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][C:9](=[O:10])[NH:11][CH2:12][c:13]2[cH:14][c:15]([F:19])[cH:16][cH:17][cH:18]2)[cH:6][n:7]1.[Na+:35].[Na+:36].[OH2:48]>>[c:2]1(-[c:25]2[cH:24][cH:23][c:22]([CH2:20][CH3:21])[cH:27][cH:26]2)[cH:3][cH:4][c:5]([CH2:8][C:9](=[O:10])[NH:11][CH2:12][c:13]2[cH:14][c:15]([F:19])[cH:16][cH:17][cH:18]2)[cH:6][n:7]1