HRID2142978

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID31275

1,4-Dioxane

C4H8O2

HCID2759834

Methyl 4-chloro-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate

C9H7ClN2O2S

HCID58413079

未命名化合物

PRODUCTS

产物

反应SMILES：COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC3CCOCC3)c2c1C

HCID46182044

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-fde36b671c044d368b42928f3c2b25cf
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

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