HRID806991

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

HCID6405

2-Methyl-2-butanol

C5H12O

结构：c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID8934

Borate(1-), tetraphenyl-

C24H20B-

HCID12369

1-Bromoheptane

C7H15Br

HCID66827

Boronic acid, phenyl-

C6H7BO2

HCID105144

Palladium(2+)

Pd+2

HCID4574913

未命名化合物

HCID102389262

未命名化合物

PRODUCTS

生成物

HCID14115

Heptylbenzene

C13H20

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-de7164775941469dafb91144de111dbb
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:24]([OH:25])([CH2:26][CH3:27])([CH3:28])[CH3:29].[C:55]([PH+:56]([C:57]([CH3:58])([CH3:59])[CH3:60])[CH3:61])([CH3:62])([CH3:63])[CH3:64].[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH3:7])[Br:8].[CH3:18][C:19]([CH3:20])([O-:21])[CH3:22].[K+:23].[O-:66][C:67]([CH3:68])=[O:69].[O-:70][C:71]([CH3:72])=[O:73].[OH:9][B:10]([OH:11])[c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1.[Pd+2:65].[c:30]1([B-:31]([c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[cH:50][cH:51][cH:52][cH:53][cH:54]1>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH3:7])[c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1