Acetic Acid → 1-(2-(4-((3-fluoro-4-methylbenzyl)amino)piperidin-1-yl)ethyl)-N-methyl-2-oxo-1,2-dihydroquinoline-4-carboxamide

HRID 96148Notes

Reaction equation

HRID 96148 reaction equation
[C:26]([BH3-:27])#[N:28].[C:40](=[O:41])([O-:42])[OH:43].[CH3:49][C:50](=[O:51])[OH:52].[CH3:53][OH:54].[CH:45]([Cl:46])([Cl:47])[Cl:48].[ClH:1].[F:30][c:31]1[cH:32][c:33]([CH:34]=[O:35])[cH:36][cH:37][c:38]1[CH3:39].[NH2:2][CH:3]1[CH2:4][CH2:5][N:6]([CH2:9][CH2:10][n:11]2[c:12](=[O:25])[cH:13][c:14]([C:21](=[O:22])[NH:23][CH3:24])[c:15]3[cH:16][cH:17][cH:18][cH:19][c:20]23)[CH2:7][CH2:8]1.[Na+:29].[Na+:44]>>[NH:2]([CH:3]1[CH2:4][CH2:5][N:6]([CH2:9][CH2:10][n:11]2[c:12](=[O:25])[cH:13][c:14]([C:21](=[O:22])[NH:23][CH3:24])[c:15]3[cH:16][cH:17][cH:18][cH:19][c:20]23)[CH2:7][CH2:8]1)[CH2:34][c:33]1[cH:32][c:31]([F:30])[c:38]([CH3:39])[cH:37][cH:36]1

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ion2×HCID 6212ChloroformHCID 498716Cyano-borohydrideHCID 27745743-Fluoro-4-methylbenzaldehydeHCID 593980581-[2-(4-aminopiperidin-1-yl)ethyl]-N-methyl-2-oxoquinoline-4-carboxamide

Product 1

HCID 593984361-(2-(4-((3-fluoro-4-methylbenzyl)amino)piperidin-1-yl)ethyl)-N-methyl-2-oxo-1,2-dihydroquinoline-4-carboxamide

Sources & evidence

ORD record
ord-7659ad9fcac446639577afa38530cb53
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…