HRID1153276

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID1118

Sulfuric acid

H2O4S

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID13729225

4-Chloro-2-(methanesulfonyl)-6-methoxypyrimidine

C6H7ClN2O3S

结构：Cc1cccc(OC(F)F)c1NS(=O)(=O)c1nc[nH]n1

HCID178425727

未命名化合物

PRODUCTS

生成物

结构：COc1cc(Cl)nc(-n2cnc(S(=O)(=O)Nc3c(C)cccc3OC(F)F)n2)n1

HCID14514435

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1c3cf767d4284ec0b71fb809fceb22a6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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