Sodium ion → 5-(Cyclohexyl(methyl)amino)-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-4'-((dimethylamino)methyl)-4-methyl-[1,1'-biphenyl]-3-carboxamide

HRID 294346Notes

Reaction equation

HRID 294346 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][CH2:29]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:43](=[O:44])([O-:45])[O-:46].[CH3:30][N:31]([CH3:32])[CH2:33][c:34]1[cH:35][cH:36][c:37]([B:40]([OH:41])[OH:42])[cH:38][cH:39]1.[Na+:47].[Na+:48].[O:50]1[CH2:51][CH2:52][O:53][CH2:54][CH2:55]1.[OH2:49].[OH2:56]>>[c:2]1(-[c:37]2[cH:36][cH:35][c:34]([CH2:33][N:31]([CH3:30])[CH3:32])[cH:39][cH:38]2)[cH:3][c:4]([N:22]([CH3:23])[CH:24]2[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]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

7

Reactant 6

HCID 923Sodium ion2×HCID 962Water2×HCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 22506610{4-[(Dimethylamino)methyl]phenyl}boronic acidHCID 665757645-bromo-3-(cyclohexyl(methyl)amino)-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-methylbenzamide

Product 1

HCID 708724235-(Cyclohexyl(methyl)amino)-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-4'-((dimethylamino)methyl)-4-methyl-[1,1'-biphenyl]-3-carboxamide

Sources & evidence

ORD record
ord-4ab9784e411845b4b75423985e14ce09
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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