HRID1139552

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID923

Sodium ion

Na+

2 次

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID105144

Palladium(2+)

Pd+2

HCID817694

3-Bromo-2-cyanopyridine

C6H3BrN2

HCID2736209

(2,4-Dimethoxypyrimidin-5-yl)boronic acid

C6H9BN2O4

PRODUCTS

生成物

HCID58994232

3-(2,4-Dimethoxy-5-pyrimidinyl)-2-pyridinecarbonitrile

C12H10N4O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b1538c95225b4b13ae40aed399e40027
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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