Formate → 2-(Perfluorobutylsulfanyl)ethanol

HRID 2135984Notes

Reaction equation

HRID 2135984 reaction equation
[CH:19]([O-:20])=[O:21].[CH:36]([O:37][CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[F:1][C:2]([C:3]([C:4]([C:5]([I:6])([F:7])[F:8])([F:9])[F:10])([F:11])[F:12])([F:13])[F:14].[Na+:22].[Na+:34].[Na+:35].[O:43]=[CH:44][N:45]([CH3:46])[CH3:47].[OH2:23].[OH2:24].[OH2:25].[OH2:26].[OH2:27].[OH2:28].[OH2:29].[OH2:48].[OH:15][CH2:16][CH2:17][SH:18].[S:30]([O-:31])([O-:32])=[O:33]>>[F:1][C:2]([C:3]([C:4]([C:5]([F:7])([F:8])[S:18][CH2:17][CH2:16][OH:15])([F:9])[F:10])([F:11])[F:12])([F:13])[F:14]

Participants

9

Reactant 8

HCID 283FormateHCID 923Sodium ion3×HCID 962Water8×HCID 1099SulfiteHCID 15672-MercaptoethanolHCID 6228DimethylformamideHCID 7914Diisopropyl EtherHCID 67917Perfluorobutyl iodide

Product 1

HCID 120865212-(Perfluorobutylsulfanyl)ethanol

Sources & evidence

ORD record
ord-4bec55c5e95c48dcb0db95253ae2aab5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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