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

HRID 2347121Notes

Reaction equation

HRID 2347121 reaction equation
[Br:1][c:2]1[cH:3][c:4]([NH:22][CH:23]2[CH2:24][CH2:25][CH2:26][CH2:27]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:39](=[O:40])([O-:41])[O-:42].[CH2:45]1[O:46][CH2:47][CH2:48][O:49][CH2:50]1.[CH:28](=[O:29])[c:30]1[cH:31][cH:32][c:33]([B:36]([OH:37])[OH:38])[cH:34][cH:35]1.[Na+:43].[Na+:44]>>[c:2]1(-[c:33]2[cH:32][cH:31][c:30]([CH:28]=[O:29])[cH:35][cH:34]2)[cH:3][c:4]([NH:22][CH:23]2[CH2:24][CH2:25][CH2:26][CH2:27]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 5910734-Formylphenylboronic AcidHCID 665760805-bromo-3-(cyclopentylamino)-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-methylbenzamide

Product 1

HCID 866726395-(cyclopentylamino)-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-4'-formyl-4-methyl-[1,1'-biphenyl]-3-carboxamide

Sources & evidence

ORD record
ord-c4875dbe6db34bebb9dd1e89f4922be3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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