Acetic Acid → HCID 70872932, compound

HRID 169237Notes

Reaction equation

HRID 169237 reaction equation
[C:44]([BH3-:45])#[N:46].[CH3:37][NH:38][CH3:39].[CH3:40][C:41](=[O:42])[OH:43].[CH3:48][OH:49].[CH:1]1([N:7]([c:8]2[c:9]([CH3:35])[c:10]([C:11](=[O:12])[NH:13][CH2:14][c:15]3[c:16](=[O:23])[nH:17][c:18]([CH3:22])[cH:19][c:20]3[CH3:21])[cH:24][c:25](-[c:27]3[cH:28][n:29][c:30]([CH:33]=[O:34])[cH:31][cH:32]3)[cH:26]2)[CH3:36])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Na+:47]>>[CH:1]1([N:7]([c:8]2[c:9]([CH3:35])[c:10]([C:11](=[O:12])[NH:13][CH2:14][c:15]3[c:16](=[O:23])[nH:17][c:18]([CH3:22])[cH:19][c:20]3[CH3:21])[cH:24][c:25](-[c:27]3[cH:28][n:29][c:30]([CH2:33][N:38]([CH3:37])[CH3:39])[cH:31][cH:32]3)[cH:26]2)[CH3:36])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 674DimethylamineHCID 887MethanolHCID 923Sodium ionHCID 498716Cyano-borohydrideHCID 866726513-(cyclohexyl(methyl)amino)-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-5-(6-formylpyridin-3-yl)-2-methylbenzamide

Product 1

HCID 70872932HCID 70872932, compound

Sources & evidence

ORD record
ord-64d25b2f91d846789cb3c29fd2f2e278
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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