HRID170282

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

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID7973

2-Bromopyridine

C5H4BrN

HCID19660

Carbonate

CO3-2

HCID78412

Phenyl dihydrogen orthoborate

C6H7BO3

HCID105144

Palladium(2+)

Pd+2

结构：CC(=C(c1ccccc1)c1ccccc1)P(C1CCCCC1)C1CCCCC1

HCID12010824

Cy-vBRIDP

C27H35P

PRODUCTS

生成物

HCID13887

2-Phenylpyridine

C11H9N

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-47881e0ea4b7472c99cd616eb4985807
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][cH:7]1.[C:18](=[O:19])([O-:20])[O-:21].[C:52]([O-:53])(=[O:54])[CH3:55].[C:57]([O-:58])(=[O:59])[CH3:60].[CH3:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1.[K+:22].[K+:23].[OH2:68].[Pd+2:56].[c:24]1([C:25]([c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)=[C:32]([P:33]([CH:34]2[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39]2)[CH:40]2[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45]2)[CH3:46])[cH:47][cH:48][cH:49][cH:50][cH:51]1.[c:8]1([O:14][B:15]([OH:16])[OH:17])[cH:9][cH:10][cH:11][cH:12][cH:13]1>>[c:2]1(-[c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[n:3][cH:4][cH:5][cH:6][cH:7]1