Acetone → 5-(3,4-Dimethoxyphenyl)-2-{1-[(3-hydroxyphenyl)carbonyl]piperidin-4-yl}-4,4-dimethyl-2,4-dihydro-3H-pyrazol-3-one

HRID 2310204Notes

Reaction equation

HRID 2310204 reaction equation
[C:1](=[O:2])([CH3:3])[O:4][c:5]1[cH:6][c:7]([C:11](=[O:12])[N:13]2[CH2:14][CH2:15][CH:16]([N:19]3[N:20]=[C:21]([c:27]4[cH:28][c:29]([O:35][CH3:36])[c:30]([O:33][CH3:34])[cH:31][cH:32]4)[C:22]([CH3:25])([CH3:26])[C:23]3=[O:24])[CH2:17][CH2:18]2)[cH:8][cH:9][cH:10]1.[CH2:40]1[O:41][CH2:42][CH2:43][CH2:44]1.[CH3:45][C:46](=[O:47])[CH3:48].[CH3:49][OH:50].[ClH:39].[Na+:38].[OH-:37]>>[OH:4][c:5]1[cH:6][c:7]([C:11](=[O:12])[N:13]2[CH2:14][CH2:15][CH:16]([N:19]3[N:20]=[C:21]([c:27]4[cH:28][c:29]([O:35][CH3:36])[c:30]([O:33][CH3:34])[cH:31][cH:32]4)[C:22]([CH3:25])([CH3:26])[C:23]3=[O:24])[CH2:17][CH2:18]2)[cH:8][cH:9][cH:10]1

Participants

8

Reactant 7

HCID 180AcetoneHCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 8028TetrahydrofuranHCID 462027213-({4-[3-(3,4-Dimethoxyphenyl)-4,4-dimethyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]piperidin-1-yl}carbonyl)phenyl acetate

Product 1

HCID 462066295-(3,4-Dimethoxyphenyl)-2-{1-[(3-hydroxyphenyl)carbonyl]piperidin-4-yl}-4,4-dimethyl-2,4-dihydro-3H-pyrazol-3-one

Sources & evidence

ORD record
ord-c640df6d788545e488bba6e53001c4e2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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