HRID186869

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6422

Trifluoroacetic acid

C2HF3O2

HCID8471

Triethylamine

C6H15N

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID59548392

未命名化合物

PRODUCTS

产物

HCID59548188

2-(2-Fluoro-5-((4-(methylsulfonyl)piperazin-1-yl)methyl)pyridin-3-yl)-4-methyl-6-(methylthio)-1,3,5-triazine

C16H21FN6O2S2

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-ccd9bbba45ad4fd4bcc7385b398fe1e9
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

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