Potassium Cation → Phthalonitrile

HRID 1571002Notes

Reaction equation

HRID 1571002 reaction equation
[C:14]([c:15]1[cH:16][cH:17][cH:18][c:19]([C:20]([CH3:21])([CH3:22])[CH3:23])[c:24]1[OH:25])([CH3:26])([CH3:27])[CH3:28].[C:29](=[O:30])([O-:31])[O-:32].[K+:33].[K+:34].[N+:1]([O-:2])(=[O:3])[c:4]1[cH:5][c:6]([C:12]#[N:13])[c:7]([C:8]#[N:9])[cH:10][cH:11]1.[O:35]=[CH:36][N:37]([CH3:38])[CH3:39].[OH2:40]>>[cH:4]1[cH:5][c:6]([C:12]#[N:13])[c:7]([C:8]#[N:9])[cH:10][cH:11]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 314052,6-Di-tert-butylphenolHCID 974431,2-Benzenedicarbonitrile, 4-nitro-

Product 1

HCID 7042Phthalonitrile

Sources & evidence

ORD record
ord-57dfe89d3a07402a8cd3021cb62aa7d1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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