HRID139006

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID78345

Pyrimidine, 2-bromo-

C4H3BrN2

HCID17750257

Methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxylate

C13H18BNO4

PRODUCTS

生成物

HCID66989995

Methyl 5-(pyrimidin-2-yl)pyridine-3-carboxylate

C11H9N3O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-037a57d79e9047989fefc8ce32f448d3
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

[Br:1][c:2]1[n:3][cH:4][cH:5][cH:6][n:7]1.[CH3:14][C:15]1([CH3:16])[C:17]([CH3:18])([CH3:19])[O:20][B:21]([c:22]2[cH:23][c:24]([C:28](=[O:29])[O:30][CH3:31])[cH:25][n:26][cH:27]2)[O:32]1.[CH3:75][CH2:76][O:77][C:78](=[O:79])[CH3:80].[CH3:81][O:82][CH2:83][CH2:84][O:85][CH3:86].[Na+:8].[Na+:9].[O-:10][C:11](=[O:12])[O-:13].[OH2:74].[Pd:33]([Cl:34])[Cl:35].[c:36]1([P:37]([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[cH:50][cH:51][cH:52][cH:53][cH:54]1.[c:55]1([P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[cH:69][cH:70][cH:71][cH:72][cH:73]1>>[c:2]1(-[c:22]2[cH:23][c:24]([C:28](=[O:29])[O:30][CH3:31])[cH:25][n:26][cH:27]2)[n:3][cH:4][cH:5][cH:6][n:7]1