HRID2147728

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7912

Diisopropylamine

C6H15N

HCID105144

Palladium(2+)

Pd+2

HCID2762803

2-Bromo-3-fluoropyridine

C5H3BrFN

结构：COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cc(-c2ccc(C)cn2)c1

HCID59432564

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc(-c2ccc(C)cn2)cc(-c2ncccc2F)c1

HCID68498810

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b427decca75b49e1b0e5ad5fd489a8d8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:27][c:28]1[n:29][cH:30][cH:31][cH:32][c:33]1[F:34].[C:48]([O-:49])(=[O:50])[CH3:51].[C:53]([O-:54])(=[O:55])[CH3:56].[CH3:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][c:10]([C:11](=[O:12])[O:13][CH3:14])[cH:15][c:16]([B:18]3[O:19][C:20]([CH3:21])([CH3:22])[C:23]([CH3:24])([CH3:25])[O:26]3)[cH:17]2)[n:6][cH:7]1.[CH3:42][N:43]([CH3:44])[CH:45]=[O:46].[CH:35]([NH:36][CH:37]([CH3:38])[CH3:39])([CH3:40])[CH3:41].[OH2:47].[Pd+2:52]>>[CH3:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][c:10]([C:11](=[O:12])[O:13][CH3:14])[cH:15][c:16](-[c:28]3[n:29][cH:30][cH:31][cH:32][c:33]3[F:34])[cH:17]2)[n:6][cH:7]1