HRID838423

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID23938

Palladium

2 次

HCID26255

Tetrafluoroborate

BF4-

HCID28179

Fluoride

F-

HCID31275

1,4-Dioxane

C4H8O2

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

HCID3247522

3-Chloro-4-methoxyphenylboronic acid

C7H8BClO3

HCID4060964

未命名化合物

HCID22337570

3-Bromo-4-(trifluoromethyl)benzoic acid

C8H4BrF3O2

PRODUCTS

生成物

结构：COc1ccc(-c2cc(C(=O)O)ccc2C(F)(F)F)cc1Cl

HCID67170103

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dc83c5d57e5745cc9ea95b08b16e17dd
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

[Br:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[OH:7])[cH:8][cH:9][c:10]1[C:11]([F:12])([F:13])[F:14].[C:32]([PH+:33]([C:34]([CH3:35])([CH3:36])[CH3:37])[C:38]([CH3:39])([CH3:40])[CH3:41])([CH3:42])([CH3:43])[CH3:44].[Cl:15][c:16]1[cH:17][c:18]([B:24]([OH:25])[OH:26])[cH:19][cH:20][c:21]1[O:22][CH3:23].[F-:45].[F:27][B-:28]([F:29])([F:30])[F:31].[K+:46].[O:103]1[CH2:104][CH2:105][O:106][CH2:107][CH2:108]1.[O:49]=[C:50]([CH:51]=[CH:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1)[CH:59]=[CH:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1.[O:67]=[C:68]([CH:69]=[CH:70][c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1)[CH:77]=[CH:78][c:79]1[cH:80][cH:81][cH:82][cH:83][cH:84]1.[O:85]=[C:86]([CH:87]=[CH:88][c:89]1[cH:90][cH:91][cH:92][cH:93][cH:94]1)[CH:95]=[CH:96][c:97]1[cH:98][cH:99][cH:100][cH:101][cH:102]1.[Pd:47].[Pd:48]>>[c:2]1(-[c:18]2[cH:17][c:16]([Cl:15])[c:21]([O:22][CH3:23])[cH:20][cH:19]2)[cH:3][c:4]([C:5](=[O:6])[OH:7])[cH:8][cH:9][c:10]1[C:11]([F:12])([F:13])[F:14]