Acetone → 3-Bromo-4-(phenylmethoxy)-benzonitrile

HRID 2143135Notes

Reaction equation

HRID 2143135 reaction equation
[Br:1][c:2]1[cH:3][c:4]([C:5]#[N:6])[cH:7][cH:8][c:9]1[OH:10].[C:11](=[O:12])([O-:13])[O-:14].[CH3:27][C:28](=[O:29])[CH3:30].[Cl:19][CH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1.[I-:18].[K+:15].[K+:16].[K+:17].[OH2:31]>>[Br:1][c:2]1[cH:3][c:4]([C:5]#[N:6])[cH:7][cH:8][c:9]1[O:10][CH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1

Participants

8

Reactant 7

HCID 180AcetoneHCID 813Potassium Cation3×HCID 962WaterHCID 7503Benzyl ChlorideHCID 19660Carbonate IonHCID 30165Iodide IonHCID 753413-Bromo-4-hydroxybenzonitrile

Product 1

HCID 39600183-Bromo-4-(phenylmethoxy)-benzonitrile

Sources & evidence

ORD record
ord-227076ea505e4b31b8b1e591b4ffeeb9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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