HRID702723

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID312

Chloride

Cl-

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID16028

Tetrabutylammonium

C16H36N+

HCID68514

3-Nitrostyrene

C8H7NO2

HCID69369

3,5-Dibromopyridine

C5H3Br2N

HCID105144

Palladium(2+)

Pd+2

PRODUCTS

生成物

结构：O=[N+]([O-])c1cccc(C=Cc2cncc(Br)c2)c1

HCID53724655

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-69c22718a52d480db895dc6b32bae180
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:12][c:13]1[cH:14][n:15][cH:16][c:17]([Br:18])[cH:19]1.[C:20](=[O:21])([OH:22])[O-:23].[CH2:26]([N+:27]([CH2:28][CH2:29][CH2:30][CH3:31])([CH2:32][CH2:33][CH2:34][CH3:35])[CH2:36][CH2:37][CH2:38][CH3:39])[CH2:40][CH2:41][CH3:42].[CH3:43][N:44]([CH3:45])[CH:46]=[O:47].[Cl-:25].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]([CH:7]=[CH2:8])[cH:9][cH:10][cH:11]1.[Na+:24].[O-:49][C:50]([CH3:51])=[O:52].[O-:53][C:54]([CH3:55])=[O:56].[Pd+2:48]>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]([CH:7]=[CH:8][c:17]2[cH:16][n:15][cH:14][c:13]([Br:12])[cH:19]2)[cH:9][cH:10][cH:11]1