HRID2161357

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

HCID2773912

2-Chloro-4-(trifluoromethyl)pyrimidine

C5H2ClF3N2

HCID67432003

未命名化合物

PRODUCTS

生成物

结构：OC1(c2ncc(-c3cc(Cl)cc(Nc4nccc(C(F)(F)F)n4)c3)s2)CCC1

HCID58456347

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3ddf904dcf0d4faeaf1f71af5029f4cc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:30](=[O:31])([O-:32])[O-:33].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[Cl:19][c:20]1[n:21][cH:22][cH:23][c:24]([C:26]([F:27])([F:28])[F:29])[n:25]1.[Cs+:34].[Cs+:35].[NH2:1][c:2]1[cH:3][c:4](-[c:9]2[cH:10][n:11][c:12]([C:14]3([OH:18])[CH2:15][CH2:16][CH2:17]3)[s:13]2)[cH:5][c:6]([Cl:8])[cH:7]1.[O-:49][C:50]([CH3:51])=[O:52].[O-:53][C:54]([CH3:55])=[O:56].[O:36]1[CH2:37][CH2:38][O:39][CH2:40][CH2:41]1.[Pd+2:48]>>[NH:1]([c:2]1[cH:3][c:4](-[c:9]2[cH:10][n:11][c:12]([C:14]3([OH:18])[CH2:15][CH2:16][CH2:17]3)[s:13]2)[cH:5][c:6]([Cl:8])[cH:7]1)[c:20]1[n:21][cH:22][cH:23][c:24]([C:26]([F:27])([F:28])[F:29])[n:25]1