Toluene → 1-cyanomethyl-4-(4-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-5-(trifluoromethyl)-1H-pyrazole

反応式

[Br:27][CH2:28][C:29]#[N:30].[CH3:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9](-[c:17]3[cH:18][cH:19][c:20]([S:23](=[O:24])(=[O:25])[CH3:26])[cH:21][cH:22]3)[n:10][nH:11][c:12]2[C:13]([F:14])([F:15])[F:16])[cH:6][cH:7]1>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9](-[c:17]3[cH:18][cH:19][c:20]([S:23](=[O:24])(=[O:25])[CH3:26])[cH:21][cH:22]3)[n:10][n:11]([CH2:28][C:29]#[N:30])[c:12]2[C:13]([F:14])([F:15])[F:16])[cH:6][cH:7]1

参加物

反応物 3

HCID 1140Toluene

HCID 11534Bromoacetonitrile

HCID 153802224-(4-Fluoro-phenyl)-3-(4-methanesulfonyl-phenyl)-5-trifluoromethyl-1H-pyrazole

生成物 1

HCID 153802251-cyanomethyl-4-(4-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-5-(trifluoromethyl)-1H-pyrazole

出典と根拠

ORDレコード: ord-ae714783368e4145841dc87744ad5a70
出典データセット: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

反応ノート

読み込み中…