HRID310512

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID3283

Diethyl Ether

C4H10O

HCID8071

未命名化合物

HCID11776

Triphenylphosphine

C18H15P

HCID89143

2-Bromo-4-methylanisole

C8H9BrO

HCID105144

Palladium(2+)

Pd+2

HCID2773477

2-Isopropylphenylboronic acid

C9H13BO2

PRODUCTS

生成物

HCID68743368

2-Methoxy-5-methyl-2'-(propan-2-yl)-1,1'-biphenyl

C17H20O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a64918b6a78a44b8950b7438720a1a02
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:1][c:2]1[c:3]([O:9][CH3:10])[cH:4][cH:5][c:6]([CH3:8])[cH:7]1.[C:52]([O-:53])(=[O:54])[CH3:55].[C:57]([O-:58])(=[O:59])[CH3:60].[CH2:61]([O:62][CH2:63][CH3:64])[CH3:65].[CH2:66]([CH2:67][O:68][CH3:69])[O:70][CH3:71].[CH:11]([CH3:12])([CH3:13])[c:14]1[c:15]([B:20]([OH:21])[OH:22])[cH:16][cH:17][cH:18][cH:19]1.[Cl-:50].[K+:47].[K+:48].[K+:49].[NH4+:51].[OH2:72].[P:42]([O-:43])([O-:44])([O-:45])=[O:46].[Pd+2:56].[c:23]1([P:24]([c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[cH:37][cH:38][cH:39][cH:40][cH:41]1>>[c:2]1(-[c:15]2[c:14]([CH:11]([CH3:12])[CH3:13])[cH:19][cH:18][cH:17][cH:16]2)[c:3]([O:9][CH3:10])[cH:4][cH:5][c:6]([CH3:8])[cH:7]1