HRID805735

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID259

Bromide

Br-

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID16028

Tetrabutylammonium

C16H36N+

HCID19660

Carbonate

CO3-2

HCID74299

Benzeneboronic acid, p-chloro-

C6H6BClO2

HCID105144

Palladium(2+)

Pd+2

HCID2794634

4-bromo-1-methyl-1H-pyrazole-5-carbaldehyde

C5H5BrN2O

PRODUCTS

生成物

HCID86642504

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-739692c93b21453094abea20f60c9dfa
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br-:26].[Br:1][c:2]1[cH:3][n:4][n:5]([CH3:9])[c:6]1[CH:7]=[O:8].[C:20](=[O:21])([O-:22])[O-:23].[C:51]([O-:52])(=[O:53])[CH3:54].[C:56]([O-:57])(=[O:58])[CH3:59].[CH3:27][CH2:28][CH2:29][CH2:30][N+:31]([CH2:32][CH2:33][CH2:34][CH3:35])([CH2:36][CH2:37][CH2:38][CH3:39])[CH2:40][CH2:41][CH2:42][CH3:43].[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[Cl:10][c:11]1[cH:12][cH:13][c:14]([B:17]([OH:18])[OH:19])[cH:15][cH:16]1.[K+:24].[K+:25].[OH2:44].[Pd+2:55]>>[c:2]1(-[c:14]2[cH:13][cH:12][c:11]([Cl:10])[cH:16][cH:15]2)[cH:3][n:4][n:5]([CH3:9])[c:6]1[CH:7]=[O:8]