Acetone → 4-(2-Cyclopropyl-2-oxoethoxy)-2,6-dimethylbenzonitrile

HRID 696292Notes

Reaction equation

HRID 696292 reaction equation
[Br:18][CH2:19][C:20](=[O:21])[CH:22]1[CH2:23][CH2:24]1.[C:1](=[O:2])([O-:3])[O-:4].[CH3:25][C:26](=[O:27])[CH3:28].[Cs+:5].[Cs+:6].[OH:7][c:8]1[cH:9][c:10]([CH3:17])[c:11]([C:12]#[N:13])[c:14]([CH3:16])[cH:15]1>>[O:7]([c:8]1[cH:9][c:10]([CH3:17])[c:11]([C:12]#[N:13])[c:14]([CH3:16])[cH:15]1)[CH2:19][C:20](=[O:21])[CH:22]1[CH2:23][CH2:24]1

Participants

6

Reactant 5

HCID 180AcetoneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 5901834-Hydroxy-2,6-dimethylbenzonitrileHCID 109208412-Bromo-1-cyclopropylethan-1-one

Product 1

HCID 590181944-(2-Cyclopropyl-2-oxoethoxy)-2,6-dimethylbenzonitrile

Sources & evidence

ORD record
ord-c4c37d8a22964f34b02b6a71c0d41e7c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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