Potassium Cation → 5,6,7,8-Tetradehydro Risperidone

HRID 152968Notes

Reaction equation

HRID 152968 reaction equation
[CH3:41][CH:42]([CH3:43])[CH2:44][C:45](=[O:46])[CH3:47].[Cl:1][CH2:2][CH2:3][c:4]1[c:5]([CH3:15])[n:6][c:7]2[n:8]([c:9]1=[O:10])[cH:11][cH:12][cH:13][cH:14]2.[F:16][c:17]1[cH:18][c:19]2[c:20]([c:21]([CH:24]3[CH2:25][CH2:26][NH:27][CH2:28][CH2:29]3)[n:22][o:23]2)[cH:30][cH:31]1.[I-:39].[K+:38].[Na+:32].[Na+:33].[O-:34][C:35](=[O:36])[O-:37].[OH2:40]>>[CH2:2]([CH2:3][c:4]1[c:5]([CH3:15])[n:6][c:7]2[n:8]([c:9]1=[O:10])[cH:11][cH:12][cH:13][cH:14]2)[N:27]1[CH2:26][CH2:25][CH:24]([c:21]2[c:20]3[c:19]([cH:18][c:17]([F:16])[cH:31][cH:30]3)[o:23][n:22]2)[CH2:29][CH2:28]1

Participants

9

Reactant 8

HCID 813Potassium CationHCID 923Sodium ion2×HCID 962WaterHCID 7909Methyl Isobutyl KetoneHCID 19660Carbonate IonHCID 30165Iodide IonHCID 8178663-(2-Chloroethyl)-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-oneHCID 8494213-(4-Piperidyl)-6-fluoro-1,2-benzisoxazole

Product 1

HCID 143720405,6,7,8-Tetradehydro Risperidone

Sources & evidence

ORD record
ord-b1a8d0bbf6ba4dca9143125ece35a74f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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