HRID818362

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

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-d45a350bfe644bc99b463e80cfbce3b8
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].[CH3:34][N:35]([CH3:36])[CH:37]=[O:38].[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:39].[c:40]1([P:41]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[cH:54][cH:55][cH:56][cH:57][cH:58]1.[c:59]1([P:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[cH:73][cH:74][cH:75][cH:76][cH:77]1.[c:78]1([P:79]([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[cH:92][cH:93][cH:94][cH:95][cH:96]1.[c:97]1([P:98]([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[cH:111][cH:112][cH:113][cH:114][cH:115]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]