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

HRID 688608Notes

Reaction equation

HRID 688608 reaction equation
[CH3:17][S:18]([O:19][CH:22]([CH3:23])[CH:24]1[CH2:25][CH2:26][N:27]([c:30]2[n:31][c:32]([CH:35]([CH3:36])[CH3:37])[n:33][o:34]2)[CH2:28][CH2:29]1)(=[O:20])=[O:21].[F:1][c:2]1[c:3](-[c:10]2[n:11][cH:12][c:13]([OH:16])[n:14][cH:15]2)[cH:4][cH:5][c:6]([S:8][CH3:9])[cH:7]1.[K+:38].[K+:39].[O-:40][C:41]([O-:42])=[O:43].[O:45]=[CH:46][N:47]([CH3:48])[CH3:49].[OH2:44]>>[F:1][c:2]1[c:3](-[c:10]2[n:11][cH:12][c:13]([O:16][CH:22]([CH3:23])[CH:24]3[CH2:25][CH2:26][N:27]([c:30]4[n:31][c:32]([CH:35]([CH3:36])[CH3:37])[n:33][o:34]4)[CH2:28][CH2:29]3)[n:14][cH:15]2)[cH:4][cH:5][c:6]([S:8][CH3:9])[cH:7]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 178503116HCID 178503116, compound

Product 1

HCID 666731972-[2-Fluoro-4-(methylthio)phenyl]-5-[(1-{1-[3-(1-methylethyl)-1,2,4-oxadiazol-5-yl]-4-piperidinyl}ethyl)oxy]pyrazine

Sources & evidence

ORD record
ord-8fedb2176b27401488301e6b8c200c4f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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