Hydrochloric Acid → Iloperidone

HRID 1221705Notes

Reaction equation

HRID 1221705 reaction equation
[CH2:45]([OH:46])[CH3:47].[CH3:40][N:41]([CH3:42])[CH:43]=[O:44].[Cl:24][CH2:25][CH2:26][CH2:27][O:28][c:29]1[c:30]([O:38][CH3:39])[cH:31][c:32]([C:35]([CH3:36])=[O:37])[cH:33][cH:34]1.[ClH:1].[F:2][c:3]1[cH:4][c:5]2[c:6]([c:7]([CH:10]3[CH2:11][CH2:12][NH:13][CH2:14][CH2:15]3)[n:8][o:9]2)[cH:16][cH:17]1.[K+:18].[K+:19].[O-:20][C:21]([O-:22])=[O:23].[OH2:48]>>[F:2][c:3]1[cH:4][c:5]2[c:6]([c:7]([CH:10]3[CH2:11][CH2:12][N:13]([CH2:25][CH2:26][CH2:27][O:28][c:29]4[c:30]([O:38][CH3:39])[cH:31][c:32]([C:35]([CH3:36])=[O:37])[cH:33][cH:34]4)[CH2:14][CH2:15]3)[n:8][o:9]2)[cH:16][cH:17]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 702EthanolHCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 8494213-(4-Piperidyl)-6-fluoro-1,2-benzisoxazoleHCID 73142644-(3-Chloropropoxy)-3-methoxyacetophenone

Product 1

HCID 71360Iloperidone

Sources & evidence

ORD record
ord-12a6f68b2df6401ba5ca36c16573dc7f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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