HRID694204

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

HCID2734309

2-Acetylphenylboronic acid

C8H9BO3

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

HCID86314534

未命名化合物

PRODUCTS

生成物

HCID20099953

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

C15H12O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ce0c5d2006d54478897a1cbe86fc5887
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

[C:11]([CH3:12])(=[O:13])[c:14]1[c:15]([B:20]([OH:21])[OH:22])[cH:16][cH:17][cH:18][cH:19]1.[CH:23]1([P:24]([CH:25]2[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30]2)[c:31]2[cH:32][cH:33][cH:34][cH:35][c:36]2-[c:37]2[c:38]([O:39][CH3:40])[cH:41][cH:42][c:43]([S:44]([O-:45])(=[O:46])=[O:47])[c:48]2[O:49][CH3:50])[CH2:51][CH2:52][CH2:53][CH2:54][CH2:55]1.[K+:57].[K+:58].[Na+:56].[O-:59][C:60]([O-:61])=[O:62].[O-:64][C:65]([CH3:66])=[O:67].[O-:68][C:69]([CH3:70])=[O:71].[OH2:72].[OH:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][cH:7][c:8]([Cl:9])[cH:10]1.[Pd+2:63]>>[OH:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][cH:7][c:8](-[c:15]2[c:14]([C:11]([CH3:12])=[O:13])[cH:19][cH:18][cH:17][cH:16]2)[cH:10]1