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

HRID 2311501Notes

Reaction equation

[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][n:8]2[n:9][c:10]([NH:43][CH:44]3[CH2:45][CH2:46][N:47]([CH3:50])[CH2:48][CH2:49]3)[c:11]3[c:12]2[n:13][cH:14][cH:15][c:16]3[O:17][c:18]2[c:19]([F:42])[cH:20][c:21]([NH:24][C:25](=[O:26])[CH:27]3[C:28](=[O:41])[N:29]([c:34]4[cH:35][cH:36][c:37]([F:40])[cH:38][cH:39]4)[CH2:30][CH2:31][CH2:32][CH2:33]3)[cH:22][cH:23]2)[cH:51][cH:52]1.[F:53][C:54]([F:55])([F:56])[C:57]([OH:58])=[O:59]>>[nH:8]1[n:9][c:10]([NH:43][CH:44]2[CH2:45][CH2:46][N:47]([CH3:50])[CH2:48][CH2:49]2)[c:11]2[c:12]1[n:13][cH:14][cH:15][c:16]2[O:17][c:18]1[c:19]([F:42])[cH:20][c:21]([NH:24][C:25](=[O:26])[CH:27]2[C:28](=[O:41])[N:29]([c:34]3[cH:35][cH:36][c:37]([F:40])[cH:38][cH:39]3)[CH2:30][CH2:31][CH2:32][CH2:33]2)[cH:22][cH:23]1

Participants

Reactant 2

HCID 6422Trifluoroacetic acid

HCID 68512277N-(4-(1-(4-methoxybenzyl)-3-(1-methylpiperidin-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-4-yloxy)-3-fluorophenyl)-1-(4-fluorophenyl)-2-oxoazepane-3-carboxamide

Product 1

HCID 59304319N-(3-fluoro-4-(3-(1-methylpiperidin-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-4-yloxy)phenyl)-1-(4-fluorophenyl)-2-oxoazepane-3-carboxamide

Sources & evidence

ORD record: ord-6d0de77490784aa6a38a8bbed8e89955
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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