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Hydrochloric Acid → 3-Oxo-2-(4-tert-butylphenyl)-3-(1,3,4-trimethylpyrazol-5-yl)propionitrile

HRID 951639
Notes
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Reaction equation

HRID 951639 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([CH2:11][C:12]#[N:13])[cH:9][cH:10]1.[CH2:26]([O:27][CH2:28][CH2:29][O:30][CH2:31][CH2:32][OH:33])[CH3:34].[CH3:14][O:15][C:16](=[O:17])[c:18]1[c:19]([CH3:25])[c:20]([CH3:24])[n:21][n:22]1[CH3:23].[CH3:35][OH:36].[CH3:37][O-:38].[CH3:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH3:47].[ClH:40].[Na+:39]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([CH:11]([C:12]#[N:13])[C:16](=[O:15])[c:18]2[c:19]([CH3:25])[c:20]([CH3:24])[n:21][n:22]2[CH3:23])[cH:9][cH:10]1
ParticipantsSources & evidenceReaction notes

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium IonHCID 8146Diethylene Glycol Monoethyl EtherHCID 8900HeptaneHCID 76784(4-tert-Butylphenyl)acetonitrileHCID 3826051Methoxide
HCID 45082645
Methyl 1,3,4-trimethyl-1H-pyrazole-5-carboxylate

Product 1

HCID 119839523-Oxo-2-(4-tert-butylphenyl)-3-(1,3,4-trimethylpyrazol-5-yl)propionitrile

Sources & evidence

ORD record
ord-8f60a48903c049b3b568318f91cfea68
Source dataset
Validation data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes