Hydrochloric Acid → 1-(sec-Butyl)-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-6-(3-((dimethylamino)methyl)phenyl)-3-methyl-1H-indole-4-carboxamide

HRID 201694Notes

Reaction equation

HRID 201694 reaction equation
[Br:1][c:2]1[cH:3][c:4]([C:16](=[O:17])[NH:18][CH2:19][c:20]2[c:21](=[O:28])[nH:22][c:23]([CH3:27])[cH:24][c:25]2[CH3:26])[c:5]2[c:6]([CH3:15])[cH:7][n:8]([CH:11]([CH3:12])[CH2:13][CH3:14])[c:9]2[cH:10]1.[C:49](=[O:50])([O-:51])[O-:52].[CH3:29][N:30]([CH2:31][c:32]1[cH:33][c:34]([B:38]2[O:39][C:40]([CH3:41])([CH3:42])[C:43]([CH3:44])([CH3:45])[O:46]2)[cH:35][cH:36][cH:37]1)[CH3:47].[ClH:48].[Cs+:53].[Cs+:54].[O:55]=[CH:56][N:57]([CH3:58])[CH3:59].[OH2:60]>>[c:2]1(-[c:34]2[cH:33][c:32]([CH2:31][N:30]([CH3:29])[CH3:47])[cH:37][cH:36][cH:35]2)[cH:3][c:4]([C:16](=[O:17])[NH:18][CH2:19][c:20]2[c:21](=[O:28])[nH:22][c:23]([CH3:27])[cH:24][c:25]2[CH3:26])[c:5]2[c:6]([CH3:15])[cH:7][n:8]([CH:11]([CH3:12])[CH2:13][CH3:14])[c:9]2[cH:10]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 38036203-(N,N-Dimethylaminomethyl)phenylboronic acid, pinacol esterHCID 674652276-bromo-1-(sec-butyl)-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3-methyl-1H-indole-4-carboxamide

Product 1

HCID 674678781-(sec-Butyl)-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-6-(3-((dimethylamino)methyl)phenyl)-3-methyl-1H-indole-4-carboxamide

Sources & evidence

ORD record
ord-8c8a602d21454031bc41de5450f6a7bd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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