HRID186861

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

HCID2761020

2-chloro-5-(4-methoxyphenyl)pyrimidine

C11H9ClN2O

HCID12457877

Methyl 5-aminopyridine-2-carboxylate

C7H8N2O2

PRODUCTS

生成物

结构：COC(=O)c1ccc(Nc2ncc(-c3ccc(OC)cc3)cn2)cn1

HCID67365824

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3a2ff0564f574303bc780c2ca7bc6071
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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