HRID2331014

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8071

未命名化合物

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID2734336

2,6-Difluorophenylboronic acid

C6H5BF2O2

HCID59354302

Methyl 5-bromo-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate

C8H8BrNO3

PRODUCTS

生成物

结构：COC(=O)c1cc(-c2c(F)cccc2F)c(=O)n(C)c1

HCID67254779

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9b0a3959c1d143dfa210d0e47346f6c5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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