Acetic Acid → 5,5,6,6,6-Pentafluoro-2-methyl-2-(3,3,3-trifluoropropylsulfinyl)hexanenitrile
Reaction equation
[C:25]([O:26][OH:28])(=[O:27])[CH3:29].[CH3:1][C:2]([C:3]#[N:4])([CH2:5][CH2:6][C:7]([C:8]([F:9])([F:10])[F:11])([F:12])[F:13])[S:14][CH2:15][CH2:16][C:17]([F:18])([F:19])[F:20].[CH3:30][C:31](=[O:32])[OH:33].[CH:21]([Cl:22])([Cl:23])[Cl:24].[OH2:34]>>[CH3:1][C:2]([C:3]#[N:4])([CH2:5][CH2:6][C:7]([C:8]([F:9])([F:10])[F:11])([F:12])[F:13])[S:14]([CH2:15][CH2:16][C:17]([F:18])([F:19])[F:20])=[O:27]Participants
6
Sources & evidence
- ORD record
- ord-35194852f8ca42c28576b3fac3d80cca
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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