Acetone → Benperidol

HRID 1149305Notes

Reaction equation

HRID 1149305 reaction equation
[CH3:29][C:30](=[O:31])[CH3:32].[Cr:33]([OH:34])([OH:35])(=[O:36])=[O:37].[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][CH2:10][CH2:11][N:12]2[CH2:13][CH2:14][CH:15]([n:18]3[c:19](=[O:27])[nH:20][c:21]4[c:22]3[cH:23][cH:24][cH:25][cH:26]4)[CH2:16][CH2:17]2)[OH:28])[cH:6][cH:7]1.[Na+:39].[OH-:38].[OH2:40]>>[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]([CH2:9][CH2:10][CH2:11][N:12]2[CH2:13][CH2:14][CH:15]([n:18]3[c:19](=[O:27])[nH:20][c:21]4[c:22]3[cH:23][cH:24][cH:25][cH:26]4)[CH2:16][CH2:17]2)=[O:28])[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 180AcetoneHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 24425Chromic AcidHCID 19370634104-74-0

Product 1

HCID 16363Benperidol

Sources & evidence

ORD record
ord-74cc15b0dda24049bc7a157fb11c041f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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