Potassium Cation → Racemic 2-[(1-{1-[3-(1-methylethyl)-1,2,4-oxadiazol-5-yl]-4-piperidinyl}ethyl)oxy]-5-[4-(methylsulfonyl)phenyl]pyrazine

HRID 2132849Notes

Reaction equation

HRID 2132849 reaction equation
[CH3:18][S:19]([O:20][CH:23]([CH3:24])[CH:25]1[CH2:26][CH2:27][N:28]([c:31]2[n:32][c:33]([CH:36]([CH3:37])[CH3:38])[n:34][o:35]2)[CH2:29][CH2:30]1)(=[O:21])=[O:22].[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[n:12][cH:13][c:14]([OH:17])[n:15][cH:16]2)[cH:9][cH:10]1.[K+:39].[K+:40].[O-:41][C:42]([O-:43])=[O:44].[O:46]=[CH:47][N:48]([CH3:49])[CH3:50].[OH2:45]>>[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[n:12][cH:13][c:14]([O:17][CH:23]([CH3:24])[CH:25]3[CH2:26][CH2:27][N:28]([c:31]4[n:32][c:33]([CH:36]([CH3:37])[CH3:38])[n:34][o:35]4)[CH2:29][CH2:30]3)[n:15][cH:16]2)[cH:9][cH:10]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 86638745(+/-)-1-{1-[3-(1-Methylethyl)-1,2,4-oxadiazol-5-yl]-4-piperidinyl}ethyl methanesulfonateHCID 178504683HCID 178504683, compound

Product 1

HCID 59177753Racemic 2-[(1-{1-[3-(1-methylethyl)-1,2,4-oxadiazol-5-yl]-4-piperidinyl}ethyl)oxy]-5-[4-(methylsulfonyl)phenyl]pyrazine

Sources & evidence

ORD record
ord-3e6097b0e101458c9ce6b9c240d1d4f2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…