Hydrochloric Acid → Ocaperidone

HRID 309735Notes

Reaction equation

HRID 309735 reaction equation
[Br:1][CH2:2][CH2:3][c:4]1[c:5]([CH3:16])[n:6][c:7]2[n:8]([c:9]1=[O:10])[cH:11][cH:12][cH:13][c:14]2[CH3:15].[CH3:43][CH:44]([CH3:45])[CH2:46][C:47](=[O:48])[CH3:49].[ClH:17].[F:18][c:19]1[cH:20][c:21]2[c:22]([c:23]([CH:26]3[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]3)[n:24][o:25]2)[cH:32][cH:33]1.[I-:41].[K+:40].[Na+:34].[Na+:35].[O-:36][C:37](=[O:38])[O-:39].[OH2:42]>>[CH2:2]([CH2:3][c:4]1[c:5]([CH3:16])[n:6][c:7]2[n:8]([c:9]1=[O:10])[cH:11][cH:12][cH:13][c:14]2[CH3:15])[N:29]1[CH2:28][CH2:27][CH:26]([c:23]2[c:22]3[c:21]([cH:20][c:19]([F:18])[cH:33][cH:32]3)[o:25][n:24]2)[CH2:31][CH2:30]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 813Potassium CationHCID 923Sodium ion2×HCID 962WaterHCID 7909Methyl Isobutyl KetoneHCID 19660Carbonate IonHCID 30165Iodide IonHCID 8494213-(4-Piperidyl)-6-fluoro-1,2-benzisoxazoleHCID 18995805HCID 18995805, compound

Product 1

HCID 71351Ocaperidone

Sources & evidence

ORD record
ord-687b7dd9a94143208321fcd80926ec60
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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