HRID959986

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID19660

Carbonate

CO3-2

HCID7015747

methyl 3-bromo-4-methylbenzoate

C9H9BrO2

结构：CC1(C)OB(c2ccc(NC(=O)c3c(F)cccc3F)cc2)OC1(C)C

HCID53414211

2,6-Difluoro-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzamide

C19H20BF2NO3

PRODUCTS

生成物

结构：COC(=O)c1ccc(C)c(-c2ccc(NC(=O)c3c(F)cccc3F)cc2)c1

HCID11552658

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e9bf54cd87774c409aa717580dbdb975
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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