Potassium Cation → 5-(3-(3,5-Dichlorophenyl)-4,4,4-trifluoro-2-butenoyl)-2-fluorobenzonitrile

HRID 2155770Notes

Reaction equation

HRID 2155770 reaction equation
[C:15]([CH3:16])(=[O:17])[c:18]1[cH:19][cH:20][c:21]([F:26])[c:22]([C:23]#[N:24])[cH:25]1.[C:27](=[O:28])([O-:29])[O-:30].[CH3:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1.[Cl:1][c:2]1[cH:3][c:4]([C:9]([C:10]([F:11])([F:12])[F:13])=[O:14])[cH:5][c:6]([Cl:8])[cH:7]1.[K+:31].[K+:32]>>[Cl:1][c:2]1[cH:3][c:4]([C:9]([C:10]([F:11])([F:12])[F:13])=[CH:16][C:15](=[O:17])[c:18]2[cH:19][cH:20][c:21]([F:26])[c:22]([C:23]#[N:24])[cH:25]2)[cH:5][c:6]([Cl:8])[cH:7]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 1140TolueneHCID 19660Carbonate IonHCID 27582311-(3,5-Dichlorophenyl)-2,2,2-trifluoroethan-1-oneHCID 224583893'-Cyano-4'-fluoroacetophenone

Product 1

HCID 866421895-(3-(3,5-Dichlorophenyl)-4,4,4-trifluoro-2-butenoyl)-2-fluorobenzonitrile

Sources & evidence

ORD record
ord-9b311d53951444b1af087a819ada8e4f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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