HRID102082

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID11776

Triphenylphosphine

C18H15P

HCID23938

Palladium

HCID28179

Fluoride

F-

HCID104967

Cesium(1+)

Cs+

HCID2736262

2-Bromo-4,5-difluoroanisole

C7H5BrF2O

结构：COc1ccc2c(C(=O)c3ccc(OCCN4CCCCC4)cc3)c(OS(=O)(=O)C(F)(F)F)ccc2c1

HCID11685250

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2c(C(=O)c3ccc(OCCN4CCCCC4)cc3)c(-c3cc(F)c(F)cc3OC)ccc2c1

HCID11203380

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a195eaa2dc994fe1a75521ed7f1a433a
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

[Br:59][c:60]1[c:61]([O:68][CH3:69])[cH:62][c:63]([F:67])[c:64]([F:66])[cH:65]1.[CH3:1][O:2][c:3]1[cH:4][c:5]2[cH:6][cH:7][c:8]([O:30][S:31]([C:32]([F:33])([F:34])[F:35])(=[O:36])=[O:37])[c:9]([C:13]([c:14]3[cH:15][cH:16][c:17]([O:20][CH2:21][CH2:22][N:23]4[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]4)[cH:18][cH:19]3)=[O:29])[c:10]2[cH:11][cH:12]1.[CH3:71][C:72]#[N:73].[Cs+:58].[F-:57].[Pd:70].[c:38]1([P:39]([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[cH:52][cH:53][cH:54][cH:55][cH:56]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[cH:6][cH:7][c:8](-[c:60]3[c:61]([O:68][CH3:69])[cH:62][c:63]([F:67])[c:64]([F:66])[cH:65]3)[c:9]([C:13]([c:14]3[cH:15][cH:16][c:17]([O:20][CH2:21][CH2:22][N:23]4[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]4)[cH:18][cH:19]3)=[O:29])[c:10]2[cH:11][cH:12]1