Trifluoroacetic acid → N-(3-fluoro-4-(2-(piperidin-4-yl)thieno[3,2-b]pyridin-7-yloxy)phenyl)-2-(4-fluorophenyl)-3-oxo-2,3-dihydropyridazine-4-carboxamide
反応式
[F:1][c:2]1[c:3]([O:4][c:5]2[c:6]3[c:7]([n:8][cH:9][cH:10]2)[cH:11][c:12]([CH:14]2[CH2:15][CH2:16][N:17]([C:20]([O:21][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:26])[CH2:18][CH2:19]2)[s:13]3)[cH:27][cH:28][c:29]([NH:31][C:32](=[O:33])[c:34]2[cH:35][cH:36][n:37][n:38](-[c:41]3[cH:42][cH:43][c:44]([F:47])[cH:45][cH:46]3)[c:39]2=[O:40])[cH:30]1.[F:48][C:49]([F:50])([F:51])[C:52]([OH:53])=[O:54]>>[F:1][c:2]1[c:3]([O:4][c:5]2[c:6]3[c:7]([n:8][cH:9][cH:10]2)[cH:11][c:12]([CH:14]2[CH2:15][CH2:16][NH:17][CH2:18][CH2:19]2)[s:13]3)[cH:27][cH:28][c:29]([NH:31][C:32](=[O:33])[c:34]2[cH:35][cH:36][n:37][n:38](-[c:41]3[cH:42][cH:43][c:44]([F:47])[cH:45][cH:46]3)[c:39]2=[O:40])[cH:30]1参加物
3
反応物 2
生成物 1
出典と根拠
- ORDレコード
- ord-ab50a634cd16424bbe3411227c33504b
- 出典データセット
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)