Potassium Cation → [1-[[2-(1,2-Benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methyl]piperidin-4-yl]-(4-fluorophenyl)methanone

HRID 141065Notes

Reaction equation

HRID 141065 reaction equation
[CH3:24][S:25]([OH:26])(=[O:27])=[O:28].[CH3:54][C:55]([CH2:56][CH:57]([CH3:58])[CH3:59])=[O:60].[F:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[CH:8]2[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]2)[cH:14][cH:15]1.[I-:23].[K+:22].[Na+:16].[Na+:17].[O-:18][C:19](=[O:20])[O-:21].[o:29]1[n:30][c:31]([N:38]2[CH2:39][CH:40]3[N:41]([CH2:42][CH2:43]2)[CH2:44][CH:45]([CH2:48][O:49][S:50]([CH3:51])(=[O:52])=[O:53])[CH2:46][CH2:47]3)[c:32]2[c:33]1[cH:34][cH:35][cH:36][cH:37]2>>[F:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[CH:8]2[CH2:9][CH2:10][N:11]([CH2:48][CH:45]3[CH2:44][N:41]4[CH:40]([CH2:39][N:38]([c:31]5[n:30][o:29][c:33]6[c:32]5[cH:37][cH:36][cH:35][cH:34]6)[CH2:43][CH2:42]4)[CH2:47][CH2:46]3)[CH2:12][CH2:13]2)[cH:14][cH:15]1

Participants

9

Reactant 8

HCID 813Potassium CationHCID 923Sodium ion2×HCID 6395Methanesulfonic AcidHCID 7909Methyl Isobutyl KetoneHCID 19660Carbonate IonHCID 30165Iodide IonHCID 27244404-(4-Fluorobenzoyl)piperidineHCID 19699662HCID 19699662, compound

Product 1

HCID 67703731[1-[[2-(1,2-Benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methyl]piperidin-4-yl]-(4-fluorophenyl)methanone

Sources & evidence

ORD record
ord-e833956fc60244639cdcd5f6474b1c86
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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