HRID2155276

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6318

4-Chlorobenzoic acid

C7H5ClO2

HCID19660

Carbonate

CO3-2

HCID105144

Palladium(2+)

Pd+2

HCID2773454

2-Hydroxyphenylboronic acid

C6H7BO3

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

HCID86314534

未命名化合物

PRODUCTS

生成物

HCID10656244

4-(2-hydroxyphenyl)benzoic Acid

C13H10O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c83d528eff54406a8c1bfe08884444d4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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