HRID96217

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

HCID28179

Fluoride

F-

HCID104967

Cesium(1+)

Cs+

HCID2734334

2,4-Difluorophenylboronic acid

C6H5BF2O2

结构：COc1ccc2c(C=O)c(OS(=O)(=O)C(F)(F)F)ccc2c1

HCID86626531

未命名化合物

PRODUCTS

生成物

HCID57552553

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fcacd75eda4e43dbb338548fd1a322dc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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