HRID2333705

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID784

Hydrogen peroxide

H2O2

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID66827

Boronic acid, phenyl-

C6H7BO2

HCID22093493

Methyl 5-bromo-4-fluoro-2-methoxybenzoate

C9H8BrFO3

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

HCID22093491

Methyl 6-fluoro-4-methoxy[1,1′-biphenyl]-3-carboxylate

C15H13FO3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-71e3b3ff570744659f900ea56e6e1949
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:1][O:2][C:3]([c:4]1[c:5]([O:12][CH3:13])[cH:6][c:7]([F:11])[c:8]([Br:10])[cH:9]1)=[O:14].[K+:15].[K+:16].[O-:17][C:18]([O-:19])=[O:20].[OH:107][OH:108].[OH:21][B:22]([OH:23])[c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1.[cH:30]1[cH:31][cH:32][c:33]([P:34]([Pd:35]([P:36]([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)([c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)([P:55]([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[P:74]([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[cH:105][cH:106]1>>[CH3:1][O:2][C:3]([c:4]1[c:5]([O:12][CH3:13])[cH:6][c:7]([F:11])[c:8](-[c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[cH:9]1)=[O:14]