Hydrochloric Acid → 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one

HRID 192928Notes

Reaction equation

HRID 192928 reaction equation
[CH3:43][C:44]#[N:45].[Cl:2][CH2:3][CH2:4][c:5]1[c:6]([CH3:17])[n:7][c:8]2[n:9]([c:10]1=[O:11])[cH:12][cH:13][cH:14][c:15]2[OH:16].[ClH:18].[ClH:1].[F:19][c:20]1[cH:21][c:22]2[c:23]([c:24]([CH:27]3[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]3)[n:25][o:26]2)[cH:33][cH:34]1.[I-:42].[K+:41].[Na+:35].[Na+:36].[O-:37][C:38](=[O:39])[O-:40]>>[CH2:3]([CH2:4][c:5]1[c:6]([CH3:17])[n:7][c:8]2[n:9]([c:10]1=[O:11])[cH:12][cH:13][cH:14][c:15]2[OH:16])[N:30]1[CH2:29][CH2:28][CH:27]([c:24]2[c:23]3[c:22]([cH:21][c:20]([F:19])[cH:34][cH:33]3)[o:26][n:25]2)[CH2:32][CH2:31]1

Participants

9

Reactant 8

HCID 313Hydrochloric Acid2×HCID 813Potassium CationHCID 923Sodium ion2×HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 30165Iodide IonHCID 8494213-(4-Piperidyl)-6-fluoro-1,2-benzisoxazoleHCID 248985163-(2-Chloroethyl)-2-methyl-9-hydroxy-4H-pyrido[1,2-a]pyrimidin-4-one (Paliperidone)

Product 1

HCID 446025173-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one

Sources & evidence

ORD record
ord-0bad37dbc70943bf9a6c42193b746df2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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