Sodium ion → tert-butyl N-[1-[5-phenyl-3-(pyridine-3-carbonylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-3-yl]carbamate

HRID 1230423Notes

Reaction equation

HRID 1230423 reaction equation
[Br:16][c:17]1[c:18]([N:35]2[CH2:36][CH:37]([NH:41][C:42]([O:43][C:44]([CH3:45])([CH3:46])[CH3:47])=[O:48])[CH2:38][CH2:39][CH2:40]2)[c:19]2[c:20]([n:21][cH:22]1)[nH:23][cH:24][c:25]2[NH:26][C:27]([c:28]1[cH:29][n:30][cH:31][cH:32][cH:33]1)=[O:34].[Na+:10].[Na+:11].[O-:12][C:13](=[O:14])[O-:15].[O:49]1[CH2:50][CH2:51][O:52][CH2:53][CH2:54]1.[OH:1][B:2]([OH:3])[c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1>>[c:4]1(-[c:17]2[c:18]([N:35]3[CH2:36][CH:37]([NH:41][C:42]([O:43][C:44]([CH3:45])([CH3:46])[CH3:47])=[O:48])[CH2:38][CH2:39][CH2:40]3)[c:19]3[c:20]([n:21][cH:22]2)[nH:23][cH:24][c:25]3[NH:26][C:27]([c:28]2[cH:29][n:30][cH:31][cH:32][cH:33]2)=[O:34])[cH:5][cH:6][cH:7][cH:8][cH:9]1

Participants

6

Reactant 5

HCID 923Sodium ion2×HCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 66827Phenylboronic AcidHCID 60205278tert-butyl 1-(5-bromo-3-(nicotinamido)-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-ylcarbamate

Product 1

HCID 60205530tert-butyl N-[1-[5-phenyl-3-(pyridine-3-carbonylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-3-yl]carbamate

Sources & evidence

ORD record
ord-3567e9a36c164ad1908cbeb4dbf491b6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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