HRID1536868

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

HCID19660

Carbonate

CO3-2

HCID69254

Benzamide, m-chloro- (8CI)

C7H6ClNO

HCID105144

Palladium(2+)

Pd+2

HCID583322

2,6-Dimethylphenylboronic acid

C8H11BO2

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

HCID86314534

未命名化合物

PRODUCTS

生成物

HCID11637173

2′,6′-Dimethyl[1,1′-biphenyl]-3-carboxamide

C15H15NO

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b2897f6f99ff4e8da473417829b8c905
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:11][c:12]1[c:13]([B:19]([OH:20])[OH:21])[c:14]([CH3:18])[cH:15][cH:16][cH:17]1.[CH:22]1([P:23]([CH:24]2[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]2)[c:30]2[cH:31][cH:32][cH:33][cH:34][c:35]2-[c:36]2[c:37]([O:38][CH3:39])[cH:40][cH:41][c:42]([S:43]([O-:44])(=[O:45])=[O:46])[c:47]2[O:48][CH3:49])[CH2:50][CH2:51][CH2:52][CH2:53][CH2:54]1.[Cl:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[NH2:7])[cH:8][cH:9][cH:10]1.[K+:56].[K+:57].[Na+:55].[O-:58][C:59]([O-:60])=[O:61].[O-:63][C:64]([CH3:65])=[O:66].[O-:67][C:68]([CH3:69])=[O:70].[OH2:71].[Pd+2:62]>>[c:2]1(-[c:13]2[c:12]([CH3:11])[cH:17][cH:16][cH:15][c:14]2[CH3:18])[cH:3][c:4]([C:5](=[O:6])[NH2:7])[cH:8][cH:9][cH:10]1