Acetic Acid → N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-2-methyl-5-(6-(morpholinomethyl)pyridin-3-yl)benzamide

HRID 2336043Notes

Reaction equation

HRID 2336043 reaction equation
[C:48]([BH3-:49])#[N:50].[C:52](=[O:53])([OH:54])[O-:55].[CH2:38]1[CH2:39][O:40][CH2:41][CH2:42][NH:43]1.[CH3:1][c:2]1[c:3]([CH2:10][NH:11][C:12]([c:13]2[c:14]([CH3:36])[c:15]([N:27]([CH:28]3[CH2:29][CH2:30][O:31][CH2:32][CH2:33]3)[CH2:34][CH3:35])[cH:16][c:17](-[c:19]3[cH:20][n:21][c:22]([CH:25]=[O:26])[cH:23][cH:24]3)[cH:18]2)=[O:37])[c:4](=[O:9])[nH:5][c:6]([CH3:8])[cH:7]1.[CH3:44][C:45](=[O:46])[OH:47].[CH3:61][OH:62].[Cl:57][CH:58]([Cl:59])[CH3:60].[Na+:51].[Na+:56]>>[CH3:1][c:2]1[c:3]([CH2:10][NH:11][C:12]([c:13]2[c:14]([CH3:36])[c:15]([N:27]([CH:28]3[CH2:29][CH2:30][O:31][CH2:32][CH2:33]3)[CH2:34][CH3:35])[cH:16][c:17](-[c:19]3[cH:20][n:21][c:22]([CH2:25][N:43]4[CH2:38][CH2:39][O:40][CH2:41][CH2:42]4)[cH:23][cH:24]3)[cH:18]2)=[O:37])[c:4](=[O:9])[nH:5][c:6]([CH3:8])[cH:7]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ion2×HCID 63651,1-DichloroethaneHCID 8083MorpholineHCID 498716Cyano-borohydrideHCID 86672654N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-5-(6-formylpyridin-3-yl)-2-methylbenzamide

Product 1

HCID 70872662N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-2-methyl-5-(6-(morpholinomethyl)pyridin-3-yl)benzamide

Sources & evidence

ORD record
ord-8bb8794a006a45c5b85e2645bf58fd12
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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