HRID309488

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID23938

Palladium

2 次

HCID26255

Tetrafluoroborate

BF4-

HCID28179

Fluoride

F-

HCID95417

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

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

HCID583322

2,6-Dimethylphenylboronic acid

C8H11BO2

反应SMILES：CC(C)(C)[PH+](C(C)(C)C)C(C)(C)C

HCID4060964

未命名化合物

HCID12929135

Methyl 3-bromo-2-methylbenzoate

C9H9BrO2

PRODUCTS

产物

反应SMILES：COC(=O)c1cccc(-c2c(C)cccc2C)c1C

HCID57413377

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-cc56bda0de3142779f84dedf6c113d9e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

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