Trifluoroacetic acid → 1-(4-(5-(4-(Methoxycarbonyl)-3-(pyridin-2-yl)isoxazol-5-yl)-1,2,4-oxadiazol-3-yl)benzyl)azetidine-3-carboxylic acid

反応式

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

参加物

反応物 2

HCID 6422Trifluoroacetic acid

HCID 66677904Methyl 5-(3-(4-((3-(tert-butoxycarbonyl)azetidin-1-yl)methyl)phenyl)-1,2,4-oxadiazol-5-yl)-3-(pyridin-2-yl)isoxazole-4-carboxylate

生成物 1

HCID 468471491-(4-(5-(4-(Methoxycarbonyl)-3-(pyridin-2-yl)isoxazol-5-yl)-1,2,4-oxadiazol-3-yl)benzyl)azetidine-3-carboxylic acid

出典と根拠

ORDレコード: ord-70878fc7a6a94a3bad34afc563bc8b07
出典データセット: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

反応ノート

読み込み中…