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Sodium Ion → 3-(3,5-Dimethylphenyl)-3-oxopropanenitrile

HRID 190754
Notes
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Reaction equation

HRID 190754 reaction equation
[CH2:24]1[O:25][CH2:26][CH2:27][CH2:28]1.[CH2:4]([Li:5])[CH2:6][CH2:7][CH3:8].[CH2:9]([O:11][C:12](=[O:10])[c:13]1[cH:14][c:15]([CH3:20])[cH:16][c:17]([CH3:19])[cH:18]1)[CH3:21].[CH3:1][C:2]#[N:3].[Na+:23].[OH-:22]>>[CH2:1]([C:2]#[N:3])[C:12](=[O:11])[c:13]1[cH:14][c:15]([CH3:20])[cH:16][c:17]([CH3:19])[cH:18]1
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 923Sodium IonHCID 961HydroxideHCID 6342AcetonitrileHCID 8028TetrahydrofuranHCID 88834Ethyl 3,5-dimethylbenzoateHCID 178418339Butyllithium

Product 1

HCID 142219003-(3,5-Dimethylphenyl)-3-oxopropanenitrile

Sources & evidence

ORD record
ord-1597b61364f1437b9ce460a0965018ce
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes