Bicarbonate Ion → N-(6-{4-methyl-3-[(3-methylbutanoyl)amino]phenoxy}[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide

HRID 123399

Reaction equation

HRID 123399 reaction equation
[C:38](=[O:39])([O-:40])[OH:41].[CH3:25][CH:26]([CH2:27][C:28](=[O:29])[Cl:30])[CH3:31].[CH3:32][N:33]([CH3:34])[C:35](=[O:36])[CH3:37].[NH2:1][c:2]1[cH:3][c:4]([O:5][c:6]2[cH:7][cH:8][c:9]3[n:10]([cH:11]2)[n:12][c:13]([NH:15][C:16](=[O:17])[CH:18]2[CH2:19][CH2:20]2)[n:14]3)[cH:21][cH:22][c:23]1[CH3:24].[Na+:42]>>[NH:1]([c:2]1[cH:3][c:4]([O:5][c:6]2[cH:7][cH:8][c:9]3[n:10]([cH:11]2)[n:12][c:13]([NH:15][C:16](=[O:17])[CH:18]2[CH2:19][CH2:20]2)[n:14]3)[cH:21][cH:22][c:23]1[CH3:24])[C:28]([CH2:27][CH:26]([CH3:25])[CH3:31])=[O:29]

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 31374DimethylacetamideHCID 66054Isovaleryl chlorideHCID 57749401N-[6-(3-amino-4-methylphenoxy)[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

Product 1

HCID 57749129N-(6-{4-methyl-3-[(3-methylbutanoyl)amino]phenoxy}[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide

Sources & evidence

ORD record
ord-03baae7caa174455961943239e30ab88
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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