HRID166315

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID447

3-Chlorobenzoic acid

C7H5ClO2

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID105144

Palladium(2+)

Pd+2

HCID2733267

2-Methylphenylboronic acid

C7H9BO2

结构：COc1ccc(S(=O)(=O)[O-])c(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1

HCID86314534

未命名化合物

PRODUCTS

生成物

HCID2759814

2'-Methyl[1,1'-biphenyl]-3-carboxylic acid

C14H12O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b4ffc0204cde44cb8dbaa7ca82902502
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

[CH:27]1([P:28]([CH:29]2[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34]2)[c:35]2[cH:36][cH:37][cH:38][cH:39][c:40]2-[c:41]2[c:42]([O:43][CH3:44])[cH:45][cH:46][c:47]([S:48]([O-:49])(=[O:50])=[O:51])[c:52]2[O:53][CH3:54])[CH2:55][CH2:56][CH2:57][CH2:58][CH2:59]1.[K+:21].[K+:22].[Na+:60].[O-:23][C:24]([O-:25])=[O:26].[O-:63][C:64]([CH3:65])=[O:66].[O-:67][C:68]([CH3:69])=[O:70].[OH2:61].[OH:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][cH:7][c:8]([Cl:9])[cH:10]1.[Pd+2:62].[c:11]1([CH3:20])[c:12]([B:17]([OH:18])[OH:19])[cH:13][cH:14][cH:15][cH:16]1>>[OH:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][cH:7][c:8](-[c:12]2[c:11]([CH3:20])[cH:16][cH:15][cH:14][cH:13]2)[cH:10]1