Trifluoroacetic acid → 2-(3-fluoro-4-(3-(1-methylpiperidin-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-4-yloxy)phenylamino)-N-(4-fluorophenyl)nicotinamide

反応式

[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][n:8]2[n:9][c:10]([NH:42][CH:43]3[CH2:44][CH2:45][N:46]([CH3:49])[CH2:47][CH2:48]3)[c:11]3[c:12]2[n:13][cH:14][cH:15][c:16]3[O:17][c:18]2[c:19]([F:41])[cH:20][c:21]([NH:24][c:25]3[c:26]([C:27](=[O:28])[NH:29][c:30]4[cH:31][cH:32][c:33]([F:36])[cH:34][cH:35]4)[cH:37][cH:38][cH:39][n:40]3)[cH:22][cH:23]2)[cH:50][cH:51]1.[F:52][C:53]([F:54])([F:55])[C:56]([OH:57])=[O:58]>>[nH:8]1[n:9][c:10]([NH:42][CH:43]2[CH2:44][CH2:45][N:46]([CH3:49])[CH2:47][CH2:48]2)[c:11]2[c:12]1[n:13][cH:14][cH:15][c:16]2[O:17][c:18]1[c:19]([F:41])[cH:20][c:21]([NH:24][c:25]2[c:26]([C:27](=[O:28])[NH:29][c:30]3[cH:31][cH:32][c:33]([F:36])[cH:34][cH:35]3)[cH:37][cH:38][cH:39][n:40]2)[cH:22][cH:23]1

参加物

反応物 2

HCID 6422Trifluoroacetic acid

HCID 685161762-(4-(1-(4-methoxybenzyl)-3-(1-methylpiperidin-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-4-yloxy)-3-fluorophenylamino)-N-(4-fluorophenyl)nicotinamide

生成物 1

HCID 593043722-(3-fluoro-4-(3-(1-methylpiperidin-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-4-yloxy)phenylamino)-N-(4-fluorophenyl)nicotinamide

出典と根拠

ORDレコード: ord-4c5b0b9050b449b498e1a361f794556d
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…