Sodium ion → N-(5-bromo-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)isobutyramide

HRID 2145108Notes

Reaction equation

HRID 2145108 reaction equation
[Br:29][c:30]1[c:31]([F:40])[c:32]2[c:33]([n:34][cH:35]1)[nH:36][cH:37][c:38]2[NH2:39].[C:43](=[O:44])([O-:45])[O-:46].[CH3:1][CH:2]([CH3:3])[C:4]([OH:5])=[O:6].[CH3:22][CH2:23][N:24]([CH2:25][CH3:26])[CH2:27][CH3:28].[Cl:49][CH2:50][Cl:51].[Li+:42].[Na+:47].[Na+:48].[O:7]=[C:8]1[N:9]([P:10]([Cl:11])([N:12]2[CH2:13][CH2:14][O:15][C:16]2=[O:17])=[O:18])[CH2:19][CH2:20][O:21]1.[OH-:41]>>[CH3:1][CH:2]([CH3:3])[C:4](=[O:6])[NH:39][c:38]1[c:32]2[c:31]([F:40])[c:30]([Br:29])[cH:35][n:34][c:33]2[nH:36][cH:37]1

Participants

10

Reactant 9

HCID 923Sodium ion2×HCID 961HydroxideHCID 6344DichloromethaneHCID 6590Isobutyric AcidHCID 8471TriethylamineHCID 19660Carbonate IonHCID 28486Lithium ionHCID 152842Bis(2-oxo-3-oxazolidinyl)phosphinic chlorideHCID 602052765-bromo-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-amine

Product 1

HCID 60205321N-(5-bromo-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)isobutyramide

Sources & evidence

ORD record
ord-71bec05db25c437a8e14c707e4119889
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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