HRID134368

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID79177

Acetic acid, bromo-, 1,1-dimethylethyl ester

C6H11BrO2

HCID166653

Hydride

H-

HCID46312788

6-(4-Fluorophenyl)pyridin-3-ol

C11H8FNO

HCID68536675

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)COc1ccc(-c2ccc(F)cc2)nc1

HCID68536693

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-30637248f372458b9e0b8e35dafb56f5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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