HRID1535999

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID2734902

2-Ethoxyphenylboronic acid

C8H11BO3

HCID86248732

未命名化合物

PRODUCTS

产物

HCID11494298

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

C22H21FN2O2

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-7e803eb885794bea9d9132ae36872803
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

[C:32](=[O:33])([O-:34])[O-:35].[CH2:20]([CH3:21])[O:22][c:23]1[c:24]([B:29]([OH:30])[OH:31])[cH:25][cH:26][cH:27][cH:28]1.[CH3:38][S:39]([CH3:40])=[O:41].[CH3:42][O:43][CH2:44][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+:36].[Na+:37].[OH2:48]>>[c:2]1(-[c:24]2[c:23]([O:22][CH2:20][CH3:21])[cH:28][cH:27][cH:26][cH:25]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