Sodium ion → 3-(Cyclopentyl(methyl)amino)-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-methyl-5-(1-methyl-1H-pyrazol-4-yl)benzamide

HRID 1148971Notes

Reaction equation

HRID 1148971 reaction equation
[Br:1][c:2]1[cH:3][c:4]([N:22]([CH3:23])[CH:24]2[CH2:25][CH2:26][CH2:27][CH2:28]2)[c:5]([CH3:21])[c:6]([C:7](=[O:8])[NH:9][CH2:10][c:11]2[c:12](=[O:19])[nH:13][c:14]([CH3:18])[cH:15][c:16]2[CH3:17])[cH:20]1.[C:38](=[O:39])([O-:40])[O-:41].[CH2:44]1[O:45][CH2:46][CH2:47][O:48][CH2:49]1.[CH3:29][n:30]1[n:31][cH:32][c:33]([B:35]([OH:36])[OH:37])[cH:34]1.[Na+:42].[Na+:43]>>[c:2]1(-[c:33]2[cH:32][n:31][n:30]([CH3:29])[cH:34]2)[cH:3][c:4]([N:22]([CH3:23])[CH:24]2[CH2:25][CH2:26][CH2:27][CH2:28]2)[c:5]([CH3:21])[c:6]([C:7](=[O:8])[NH:9][CH2:10][c:11]2[c:12](=[O:19])[nH:13][c:14]([CH3:18])[cH:15][c:16]2[CH3:17])[cH:20]1

Participants

6

Reactant 5

HCID 923Sodium ion2×HCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 112635011-Methyl-1H-pyrazole-4-boronic acidHCID 665757625-bromo-3-(cyclopentyl(methyl)amino)-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-methylbenzamide

Product 1

HCID 708726823-(Cyclopentyl(methyl)amino)-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-methyl-5-(1-methyl-1H-pyrazol-4-yl)benzamide

Sources & evidence

ORD record
ord-da4897ebbcb248018431cfe2f144a038
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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