HRID88481

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID105144

Palladium(2+)

Pd+2

HCID44754837

(5-Fluoro-2-methoxypyridin-4-yl)boronic acid

C6H7BFNO3

结构：C=CC1(c2cc(C(=O)OC)ccc2OS(=O)(=O)C(F)(F)F)CCCC1

HCID57467654

未命名化合物

PRODUCTS

生成物

结构：C=CC1(c2cc(C(=O)OC)ccc2-c2cc(OC)ncc2F)CCCC1

HCID57467655

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d15d064855854245bdd623e092e6b3be
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:51]([O-:52])(=[O:53])[CH3:54].[C:56]([O-:57])(=[O:58])[CH3:59].[F:1][C:2]([F:3])([F:4])[S:5]([O:6][c:7]1[c:8]([C:17]2([CH:22]=[CH2:23])[CH2:18][CH2:19][CH2:20][CH2:21]2)[cH:9][c:10]([C:11](=[O:12])[O:13][CH3:14])[cH:15][cH:16]1)(=[O:24])=[O:25].[F:26][c:27]1[c:28]([B:35]([OH:36])[OH:37])[cH:29][c:30]([O:33][CH3:34])[n:31][cH:32]1.[K+:43].[K+:44].[K+:45].[O:46]=[CH:47][N:48]([CH3:49])[CH3:50].[P:38]([O-:39])([O-:40])([O-:41])=[O:42].[Pd+2:55]>>[c:7]1(-[c:28]2[c:27]([F:26])[cH:32][n:31][c:30]([O:33][CH3:34])[cH:29]2)[c:8]([C:17]2([CH:22]=[CH2:23])[CH2:18][CH2:19][CH2:20][CH2:21]2)[cH:9][c:10]([C:11](=[O:12])[O:13][CH3:14])[cH:15][cH:16]1