Dichloromethane → N-(3-fluoro-4-(1-(4-methoxybenzyl)-3-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridin-4-yloxy)phenyl)-4-(4-fluorophenyl)-3-oxo-3,4-dihydropyrazine-2-carboxamide

HRID 86917Notes

Reaction equation

[Cl:65][CH2:66][Cl:67].[F:1][c:2]1[c:3]([O:4][c:5]2[c:6]3[c:7]([n:8][cH:9][cH:10]2)[n:11]([CH2:28][c:29]2[cH:30][cH:31][c:32]([O:35][CH3:36])[cH:33][cH:34]2)[n:12][c:13]3[CH2:14][CH:15]2[CH2:16][CH2:17][N:18]([C:21]([O:22][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:27])[CH2:19][CH2:20]2)[cH:37][cH:38][c:39]([NH:41][C:42](=[O:43])[c:44]2[n:45][cH:46][cH:47][n:48](-[c:51]3[cH:52][cH:53][c:54]([F:57])[cH:55][cH:56]3)[c:49]2=[O:50])[cH:40]1.[F:58][C:59]([F:60])([F:61])[C:62]([OH:63])=[O:64]>>[F:1][c:2]1[c:3]([O:4][c:5]2[c:6]3[c:7]([n:8][cH:9][cH:10]2)[n:11]([CH2:28][c:29]2[cH:30][cH:31][c:32]([O:35][CH3:36])[cH:33][cH:34]2)[n:12][c:13]3[CH2:14][CH:15]2[CH2:16][CH2:17][NH:18][CH2:19][CH2:20]2)[cH:37][cH:38][c:39]([NH:41][C:42](=[O:43])[c:44]2[n:45][cH:46][cH:47][n:48](-[c:51]3[cH:52][cH:53][c:54]([F:57])[cH:55][cH:56]3)[c:49]2=[O:50])[cH:40]1

Participants

Reactant 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 68514395tert-butyl 4-((4-(2-fluoro-4-(4-(4-fluorophenyl)-3-oxo-3,4-dihydropyrazine-2-carboxamido)phenoxy)-1-(4-methoxybenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)methyl)piperidine-1-carboxylate

Product 1

HCID 68515107N-(3-fluoro-4-(1-(4-methoxybenzyl)-3-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridin-4-yloxy)phenyl)-4-(4-fluorophenyl)-3-oxo-3,4-dihydropyrazine-2-carboxamide

Sources & evidence

ORD record: ord-a3c94312473a4251ba0b4ed7002d7437
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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