HRID2141259

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID78240

2-Bromo-5-nitropyridine

C5H3BrN2O2

HCID105144

Palladium(2+)

Pd+2

HCID2734354

(2-Fluorophenyl)boronato(2-)

C6H6BFO2

PRODUCTS

生成物

HCID68537775

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b102144166384d1c90d52dd4c4237c29
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:1][c:2]1[n:3][cH:4][c:5]([N+:8](=[O:9])[O-:10])[cH:6][cH:7]1.[C:56]([O-:57])(=[O:58])[CH3:59].[C:61]([O-:62])(=[O:63])[CH3:64].[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[CH3:53][CH2:54][OH:55].[F:11][c:12]1[c:13]([B:18]([OH:19])[OH:20])[cH:14][cH:15][cH:16][cH:17]1.[Na+:40].[Na+:41].[O-:42][C:43](=[O:44])[O-:45].[Pd+2:60].[c:21]1([P:22]([c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[cH:35][cH:36][cH:37][cH:38][cH:39]1>>[c:2]1(-[c:13]2[c:12]([F:11])[cH:17][cH:16][cH:15][cH:14]2)[n:3][cH:4][c:5]([N+:8](=[O:9])[O-:10])[cH:6][cH:7]1