Methanol → N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-4-methyl-4'-(morpholinomethyl)-5-(N-(tetrahydro-2H-pyran-4-yl)acetamido)[1,1'-biphenyl]-3-carboxamide

HRID 1114620Notes

Reaction equation

HRID 1114620 reaction equation
[Br:1][c:2]1[cH:3][c:4]([N:22]([C:23]([CH3:24])=[O:25])[CH:26]2[CH2:27][CH2:28][O:29][CH2:30][CH2:31]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.[CH3:61][OH:62].[Cl:63][CH2:64][Cl:65].[Na+:48].[Na+:49].[O-:50][C:51](=[O:52])[O-:53].[O:32]1[CH2:33][CH2:34][N:35]([CH2:38][c:39]2[cH:40][cH:41][c:42]([B:45]([OH:46])[OH:47])[cH:43][cH:44]2)[CH2:36][CH2:37]1.[O:54]1[CH2:55][CH2:56][O:57][CH2:58][CH2:59]1.[OH2:60]>>[c:2]1(-[c:42]2[cH:41][cH:40][c:39]([CH2:38][N:35]3[CH2:34][CH2:33][O:32][CH2:37][CH2:36]3)[cH:44][cH:43]2)[cH:3][c:4]([N:22]([C:23]([CH3:24])=[O:25])[CH:26]2[CH2:27][CH2:28][O:29][CH2:30][CH2:31]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

9

Reactant 8

HCID 887MethanolHCID 923Sodium ion2×HCID 962WaterHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 10998582{4-[(Morpholin-4-yl)methyl]phenyl}boronic acidHCID 708723905-bromo-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-methyl-3-(N-(tetrahydro-2H-pyran-4-yl)acetamido)benzamide

Product 1

HCID 70872604N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-4-methyl-4'-(morpholinomethyl)-5-(N-(tetrahydro-2H-pyran-4-yl)acetamido)[1,1'-biphenyl]-3-carboxamide

Sources & evidence

ORD record
ord-04587fd90aac455da560aa92b7045242
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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