HRID1225035

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31272

Butyl acetate

C6H12O2

HCID97632

Methanesulfonamide, N-methyl-

C2H7NO2S

结构：COC(=O)c1c(-c2ccc(F)cc2)nc(OS(=O)(=O)C(F)(F)F)nc1C(C)C

HCID17989610

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1c(-c2ccc(F)cc2)nc(N(C)S(C)(=O)=O)nc1C(C)C

HCID9929821

Methyl 4-(4-fluorophenyl)-2-[(methanesulfonyl)(methyl)amino]-6-(propan-2-yl)pyrimidine-5-carboxylate

C17H20FN3O4S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-07459c613ea4403cb379e4ad5ff2bf71
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:35](=[O:36])([O-:37])[O-:38].[CH3:29][NH:30][S:31](=[O:32])(=[O:33])[CH3:34].[CH3:41][CH2:42][CH2:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[CH3:49][C:50](=[O:51])[CH3:52].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]([O:21][S:22]([C:23]([F:24])([F:25])[F:26])(=[O:27])=[O:28])[n:11][c:12]([CH:18]([CH3:19])[CH3:20])[c:13]2[C:14](=[O:15])[O:16][CH3:17])[cH:6][cH:7]1.[K+:39].[K+:40].[OH2:53]>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]([N:30]([CH3:29])[S:31](=[O:32])(=[O:33])[CH3:34])[n:11][c:12]([CH:18]([CH3:19])[CH3:20])[c:13]2[C:14](=[O:15])[O:16][CH3:17])[cH:6][cH:7]1