Bicarbonate Ion → N-[3-fluoro-4-(4-methylpyrrolidin-2-yl)phenyl]pyridine-2-carboxamide

HRID 174017Notes

Reaction equation

HRID 174017 reaction equation
[BH4-:38].[C:29](=[O:30])([OH:31])[O-:32].[CH3:1][S:2](=[O:3])(=[O:4])[Cl:5].[CH3:40][C:41]([O:42][C:43](=[O:44])[CH3:45])=[O:46].[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[CH3:68][OH:69].[CH3:70][N:71]([CH3:72])[CH:73]=[O:74].[CH3:75][CH2:76][N:77]([CH2:78][CH3:79])[CH2:80][CH3:81].[CH:64]([Cl:65])([Cl:66])[Cl:67].[Cu+2:63].[N-:35]=[N+:36]=[N-:37].[Na+:33].[Na+:34].[Na+:39].[OH2:53].[OH2:54].[OH2:55].[OH2:56].[OH2:57].[OH:6][CH:7]([CH2:8][CH:9]([CH2:10][OH:11])[CH3:12])[c:13]1[c:14]([F:28])[cH:15][c:16]([NH:19][C:20](=[O:21])[c:22]2[n:23][cH:24][cH:25][cH:26][cH:27]2)[cH:17][cH:18]1.[S:58]([O-:59])([O-:60])(=[O:61])=[O:62]>>[CH:7]1([c:13]2[c:14]([F:28])[cH:15][c:16]([NH:19][C:20](=[O:21])[c:22]3[n:23][cH:24][cH:25][cH:26][cH:27]3)[cH:17][cH:18]2)[CH2:8][CH:9]([CH3:12])[CH2:10][NH:35]1

Participants

16

Reactant 15

HCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ion3×HCID 962Water5×HCID 1117Sulfate IonHCID 6212ChloroformHCID 6228DimethylformamideHCID 7918Acetic AnhydrideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 27099Cupric cationHCID 28123BorohydrideHCID 31297Methanesulfonyl chlorideHCID 33558AzideHCID 23145542N-(4-(1,4-dihydroxy-3-methylbutyl)-3-fluorophenyl)pyridine-2-carboxamide

Product 1

HCID 23145558N-[3-fluoro-4-(4-methylpyrrolidin-2-yl)phenyl]pyridine-2-carboxamide

Sources & evidence

ORD record
ord-9da876150c1247108f0a0a8b0c32a6cc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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