HRID825798

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID2734387

2-(Trifluoromethyl)phenylboronic acid

C7H6BF3O2

HCID16791858

未命名化合物

PRODUCTS

生成物

结构：COc1cc(-c2ccccc2C(F)(F)F)c(Cl)cc1C(=O)O

HCID21947754

2-Chloro-5-methoxy-2′-(trifluoromethyl)[1,1′-biphenyl]-4-carboxylic acid

C15H10ClF3O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d8487f9321b84917a2e37e3703344965
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:27](=[O:28])([O-:29])[O-:30].[ClH:33].[F:14][C:15]([c:16]1[c:17]([B:22]([OH:23])[OH:24])[cH:18][cH:19][cH:20][cH:21]1)([F:25])[F:26].[I:1][c:2]1[cH:3][c:4]([O:12][CH3:13])[c:5]([C:6](=[O:7])[OH:8])[cH:9][c:10]1[Cl:11].[K+:31].[K+:32].[Pd:34].[c:35]1([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)[cH:49][cH:50][cH:51][cH:52][cH:53]1.[c:54]1([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)[cH:68][cH:69][cH:70][cH:71][cH:72]1.[c:73]1([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)[cH:87][cH:88][cH:89][cH:90][cH:91]1.[c:92]1([P:93]([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[cH:106][cH:107][cH:108][cH:109][cH:110]1>>[c:2]1(-[c:17]2[c:16]([C:15]([F:14])([F:25])[F:26])[cH:21][cH:20][cH:19][cH:18]2)[cH:3][c:4]([O:12][CH3:13])[c:5]([C:6](=[O:7])[OH:8])[cH:9][c:10]1[Cl:11]