Potassium Cation → Ethyl [3-({4-[3-(3,4-dimethoxyphenyl)-4,4-dimethyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]piperidin-1-yl}carbonyl)-4-methylphenoxy]acetate

HRID 197189Notes

Reaction equation

HRID 197189 reaction equation
[Br:41][CH2:42][C:43](=[O:44])[O:45][CH2:46][CH3:47].[C:35](=[O:36])([O-:37])[O-:38].[CH3:1][O:2][c:3]1[cH:4][c:5]([C:11]2=[N:15][N:14]([CH:16]3[CH2:17][CH2:18][N:19]([C:22](=[O:23])[c:24]4[c:25]([CH3:31])[cH:26][cH:27][c:28]([OH:30])[cH:29]4)[CH2:20][CH2:21]3)[C:13](=[O:32])[C:12]2([CH3:33])[CH3:34])[cH:6][cH:7][c:8]1[O:9][CH3:10].[K+:39].[K+:40].[O:48]=[CH:49][N:50]([CH3:51])[CH3:52]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([C:11]2=[N:15][N:14]([CH:16]3[CH2:17][CH2:18][N:19]([C:22](=[O:23])[c:24]4[c:25]([CH3:31])[cH:26][cH:27][c:28]([O:30][CH2:42][C:43](=[O:44])[O:45][CH2:46][CH3:47])[cH:29]4)[CH2:20][CH2:21]3)[C:13](=[O:32])[C:12]2([CH3:33])[CH3:34])[cH:6][cH:7][c:8]1[O:9][CH3:10]

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 7748Ethyl bromoacetateHCID 19660Carbonate IonHCID 462020675-(3,4-Dimethoxyphenyl)-2-{1-[(5-hydroxy-2-methylphenyl)carbonyl]piperidin-4-yl}-4,4-dimethyl-2,4-dihydro-3H-pyrazol-3-one

Product 1

HCID 86712379Ethyl [3-({4-[3-(3,4-dimethoxyphenyl)-4,4-dimethyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]piperidin-1-yl}carbonyl)-4-methylphenoxy]acetate

Sources & evidence

ORD record
ord-ec28a915e7e741fca03bf9ca1a4d8ae7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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