HRID163339

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

HCID3231137

未命名化合物

HCID3858901

4-Iodo-2-(methylthio)pyrimidine

C5H5IN2S

PRODUCTS

生成物

结构：CSc1nccc(-c2c(-c3ccc(F)cc3)nc3cnccn23)n1

HCID58869545

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9826b2e0c7a44230826c359d682ab3e3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:26](=[O:27])([O-:28])[O-:29].[C:52]([O-:53])(=[O:54])[CH3:55].[C:57]([O-:58])(=[O:59])[CH3:60].[Cs+:30].[Cs+:31].[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][cH:15]3)[cH:16]2)[cH:6][cH:7]1.[I:17][c:18]1[n:19][c:20]([S:24][CH3:25])[n:21][cH:22][cH:23]1.[O:61]=[CH:62][N:63]([CH3:64])[CH3:65].[OH2:51].[Pd+2:56].[c:32]1([P:33]([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[cH:46][cH:47][cH:48][cH:49][cH:50]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][cH:15]3)[c:16]2-[c:18]2[n:19][c:20]([S:24][CH3:25])[n:21][cH:22][cH:23]2)[cH:6][cH:7]1