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

HRID 287100

Reaction equation

HRID 287100 reaction equation
[Br:25][CH2:26][CH2:27][CH2:28][c:29]1[cH:30][cH:31][c:32]([F:35])[cH:33][cH:34]1.[CH:7]12[CH:8]([CH2:14][NH:15][C:16]([c:17]3[c:18]([SH:23])[n:19][cH:20][cH:21][cH:22]3)=[O:24])[CH2:9][CH:10]([CH2:11][CH2:12]1)[CH2:13]2.[K+:1].[K+:2].[O-:3][C:4]([O-:5])=[O:6].[O:36]=[CH:37][N:38]([CH3:39])[CH3:40]>>[CH:7]12[CH:8]([CH2:14][NH:15][C:16]([c:17]3[c:18]([S:23][CH2:26][CH2:27][CH2:28][c:29]4[cH:30][cH:31][c:32]([F:35])[cH:33][cH:34]4)[n:19][cH:20][cH:21][cH:22]3)=[O:24])[CH2:9][CH:10]([CH2:11][CH2:12]1)[CH2:13]2

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 147371331-(3-Bromopropyl)-4-fluorobenzeneHCID 178522760N-(bicyclo[2.2.1]heptan-2-ylmethyl)-2-mercapto-nicotinamide

Product 1

HCID 59487299N-(5-bicyclo-[2.2.1]heptanyl-methyl)-2-[3-(4-fluorophenyl)-propyl-sulfanyl]-pyridine-3-carboxylic acid amide

Sources & evidence

ORD record
ord-009ff77d394e448f8ccb4a1240518149
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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