Potassium Cation → N-(5-bicyclo[2.2.1]heptanyl-methyl)-2-[[3,3-difluoro-3-(4-fluoro-phenyl)-propyl]sulfanyl]-pyridine-3-carboxylic acid amide

HRID 153350Notes

Reaction equation

HRID 153350 reaction equation
[CH3:7][S:8]([O:9][CH2:12][CH2:13][C:14]([c:15]1[cH:16][cH:17][c:18]([F:21])[cH:19][cH:20]1)([F:22])[F:23])(=[O:10])=[O:11].[CH:24]12[CH:25]([CH2:31][NH:32][C:33]([c:34]3[c:35]([SH:40])[n:36][cH:37][cH:38][cH:39]3)=[O:41])[CH2:26][CH:27]([CH2:28][CH2:29]1)[CH2:30]2.[K+:1].[K+:2].[O-:3][C:4]([O-:5])=[O:6].[O:42]=[CH:43][N:44]([CH3:45])[CH3:46]>>[CH2:12]([CH2:13][C:14]([c:15]1[cH:16][cH:17][c:18]([F:21])[cH:19][cH:20]1)([F:22])[F:23])[S:40][c:35]1[c:34]([C:33]([NH:32][CH2:31][CH:25]2[CH:24]3[CH2:29][CH2:28][CH:27]([CH2:26]2)[CH2:30]3)=[O:41])[cH:39][cH:38][cH:37][n:36]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 866453903,3-Difluoro-3-(4-fluorophenyl)-propyl methanesulfonateHCID 178522760N-(bicyclo[2.2.1]heptan-2-ylmethyl)-2-mercapto-nicotinamide

Product 1

HCID 59487304N-(5-bicyclo[2.2.1]heptanyl-methyl)-2-[[3,3-difluoro-3-(4-fluoro-phenyl)-propyl]sulfanyl]-pyridine-3-carboxylic acid amide

Sources & evidence

ORD record
ord-f0f657ca74554f239937cf5f54fe6e22
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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