1-Butanol → tert-butyl N-[1-[5-bromo-3-(2-methylpropanoylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-3-yl]-N-methylcarbamate

HRID 1127903Notes

Reaction equation

HRID 1127903 reaction equation
[Br:16][c:17]1[c:18]([F:32])[c:19]2[c:20]([n:21][cH:22]1)[nH:23][cH:24][c:25]2[NH:26][C:27]([CH:28]([CH3:29])[CH3:30])=[O:31].[CH2:33]([OH:34])[CH2:35][CH2:36][CH3:37].[CH3:1][N:2]([C:3]([O:4][C:5]([CH3:6])([CH3:7])[CH3:8])=[O:9])[CH:10]1[CH2:11][NH:12][CH2:13][CH2:14][CH2:15]1.[OH2:38]>>[CH3:1][N:2]([C:3]([O:4][C:5]([CH3:6])([CH3:7])[CH3:8])=[O:9])[CH:10]1[CH2:11][N:12]([c:18]2[c:17]([Br:16])[cH:22][n:21][c:20]3[c:19]2[c:25]([NH:26][C:27]([CH:28]([CH3:29])[CH3:30])=[O:31])[cH:24][nH:23]3)[CH2:13][CH2:14][CH2:15]1

Participants

5

Reactant 4

HCID 2631-ButanolHCID 962WaterHCID 22449166tert-butyl N-methyl-N-(piperidin-3-yl)carbamateHCID 60205321N-(5-bromo-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)isobutyramide

Product 1

HCID 60205523tert-butyl N-[1-[5-bromo-3-(2-methylpropanoylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-3-yl]-N-methylcarbamate

Sources & evidence

ORD record
ord-7e1a17ec8e0446a485e42e9ec447d5c1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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