HRID2332941

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID75806

Phosphine, tricyclohexyl-

C18H33P

HCID105144

Palladium(2+)

Pd+2

HCID139377

Methylboronic acid

CH5BO2

HCID2763343

methyl 5-bromo-2-chloronicotinate

C7H5BrClNO2

PRODUCTS

生成物

HCID11636946

Methyl 2-chloro-5-methylnicotinate

C8H8ClNO2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d5517852d8b5469a84e133c6929d4623
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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