HRID1128175

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

HCID3858901

4-Iodo-2-(methylthio)pyrimidine

C5H5IN2S

HCID57438775

未命名化合物

PRODUCTS

生成物

结构：CSc1nccc(-c2c(-c3ccc(F)cc3)nc3c(OC(C)C)nccn23)n1

HCID57438776

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5182f313dac54af094ff42b16800eae2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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