HRID2348484

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

2 次

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID105144

Palladium(2+)

Pd+2

HCID2783330

3-bromo-5-fluorobenzonitrile

C7H3BrFN

HCID57813382

B-[3-[[[(1,1-Dimethylethyl)dimethylsilyl]oxy]methyl]phenyl]boronic acid

C13H23BO3Si

PRODUCTS

生成物

结构：CC(C)(C)[Si](C)(C)OCc1cccc(-c2cc(F)cc(C#N)c2)c1

HCID57813297

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5a022dd847454995b16c006a532a49a4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([C:5]#[N:6])[cH:7][c:8]([F:10])[cH:9]1.[CH3:36][C:37]([CH3:38])([CH3:39])[Si:40]([O:41][CH2:42][c:43]1[cH:44][c:45]([B:49]([OH:50])[OH:51])[cH:46][cH:47][cH:48]1)([CH3:52])[CH3:53].[K+:30].[K+:31].[O-:32][C:33]([O-:34])=[O:35].[O-:61][C:62]([CH3:63])=[O:64].[O-:65][C:66]([CH3:67])=[O:68].[O:54]1[CH2:55][CH2:56][O:57][CH2:58][CH2:59]1.[Pd+2:60].[c:11]1([P:12]([c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:25][cH:26][cH:27][cH:28][cH:29]1>>[c:2]1(-[c:45]2[cH:44][c:43]([CH2:42][O:41][Si:40]([C:37]([CH3:36])([CH3:38])[CH3:39])([CH3:52])[CH3:53])[cH:48][cH:47][cH:46]2)[cH:3][c:4]([C:5]#[N:6])[cH:7][c:8]([F:10])[cH:9]1