HRID165060

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

HCID2734388

3-(Trifluoromethyl)phenylboronic acid

C7H6BF3O2

HCID4060964

未命名化合物

HCID7015747

methyl 3-bromo-4-methylbenzoate

C9H9BrO2

PRODUCTS

生成物

结构：COC(=O)c1ccc(C)c(-c2cccc(C(F)(F)F)c2)c1

HCID67169724

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ff3ba6c19bdb456e84e7feb08b352eb6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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