Potassium Cation → Perfluoro 4,4-dimethyl-3-isopropyl-2-pentene

HRID 1132005

Reaction equation

HRID 1132005 reaction equation
[F-:36].[F:1][C:2]([F:3])([F:4])[C:5]([C:6]([F:7])([F:8])[F:9])=[C:10]([C:11]([F:12])([F:13])[C:14]([F:15])([F:16])[F:17])[C:18]([F:19])([C:20]([F:21])([F:22])[F:23])[C:24]([F:25])([F:26])[F:27].[F:28][C:29]([Si:30]([CH3:31])([CH3:32])[CH3:33])([F:34])[F:35].[F:38][C:39]([F:40])([F:41])[F:42].[F:43][C:44]([C:45](=[C:46]([C:47]([C:48]([F:49])([F:50])[F:51])([C:52]([F:53])([F:54])[F:55])[C:56]([F:57])([F:58])[F:59])[C:60]([C:61]([F:62])([F:63])[F:64])([C:65]([F:66])([F:67])[F:68])[F:69])[C:70]([F:71])([F:72])[F:73])([F:74])[F:75].[K+:37].[O:76]=[CH:77][N:78]([CH3:79])[CH3:80]>>[F:1][C:45]([C:44]([F:43])([F:74])[F:75])=[C:46]([C:47]([C:48]([F:49])([F:50])[F:51])([C:52]([F:53])([F:54])[F:55])[C:56]([F:57])([F:58])[F:59])[C:60]([C:61]([F:62])([F:63])[F:64])([C:65]([F:66])([F:67])[F:68])[F:69]

Participants

8

Reactant 7

HCID 813Potassium CationHCID 6228DimethylformamideHCID 6393Carbon tetrafluorideHCID 28179Fluoride IonHCID 1216701,1,1,4,5,5,5-Heptafluoro-3-(pentafluoroethyl)-2,4-bis(trifluoromethyl)pent-2-eneHCID 552549(Trifluoromethyl)trimethylsilaneHCID 226420151,1,1,5,5,5-Hexafluoro-3-[1-(trifluoromethyl)-1,2,2,2-tetrafluoroethyl]-2,4,4-tris(trifluoromethyl)-2-pentene

Product 1

HCID 73990785Perfluoro 4,4-dimethyl-3-isopropyl-2-pentene

Sources & evidence

ORD record
ord-e7dbd50a4801457b855224819473e84d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Linked notes

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