Potassium Cation → 4-(3-Oxobutenyl)-benzonitrile

HRID 112508

Reaction equation

HRID 112508 reaction equation
[CH3:11][O:12][P:13](=[O:14])([O:15][CH3:16])[CH2:17][C:18]([CH3:19])=[O:20].[CH:1](=[O:2])[c:3]1[cH:4][cH:5][c:6]([C:7]#[N:8])[cH:9][cH:10]1.[K+:21].[K+:22].[O-:23][C:24]([O-:25])=[O:26].[OH2:27]>>[CH:1]([c:3]1[cH:4][cH:5][c:6]([C:7]#[N:8])[cH:9][cH:10]1)=[CH:17][C:18]([CH3:19])=[O:20]

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 962WaterHCID 19660Carbonate IonHCID 660424-CyanobenzaldehydeHCID 77872Dimethyl (2-oxopropyl)phosphonate

Product 1

HCID 538903834-(3-Oxobutenyl)-benzonitrile

Sources & evidence

ORD record
ord-d7fcda179d93454283790b9e7e45030f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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