HRID1127771

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

HCID7236

2-Bromotoluene

C7H7Br

HCID19660

Carbonate

CO3-2

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

HCID9813037

2,6,2'-trimethyl-biphenyl

C15H16

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-92fad90f1ab94e3489889c1788f101e1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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