Water → Perfluorobutanesulfonate

HRID 95604Notes

Reaction equation

HRID 95604 reaction equation
[CH3:55][CH2:56][N:57]([CH2:58][CH3:59])[CH2:60][CH3:61].[Cl:63][CH2:64][Cl:65].[F:1][C:2]([C:3]([C:4]([C:5]([S:6](=[O:7])(=[O:8])[O-:9])([F:10])[F:11])([F:12])[F:13])([F:14])[F:15])([F:16])[F:17].[F:38][C:39]([C:40]([CH:41]1[CH:42]2[CH2:43][CH2:44][CH:45]([CH2:46]1)[CH2:47]2)([F:48])[F:49])([S:50](=[O:51])(=[O:52])[Cl:53])[F:54].[OH2:62].[OH:18][c:19]1[cH:20][cH:21][c:22]([S+:25]([c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[cH:23][cH:24]1>>[F:1][C:2]([C:3]([C:4]([C:5]([S:6](=[O:7])(=[O:8])[O-:9])([F:10])[F:11])([F:12])[F:13])([F:14])[F:15])([F:16])[F:17].[O:18]([c:19]1[cH:20][cH:21][c:22]([S+:25]([c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[cH:23][cH:24]1)[S:50]([C:39]([F:38])([C:40]([CH:41]1[CH:42]2[CH2:43][CH2:44][CH:45]([CH2:46]1)[CH2:47]2)([F:48])[F:49])[F:54])(=[O:51])=[O:52]

Participants

8

Reactant 6

HCID 962WaterHCID 6344DichloromethaneHCID 8471TriethylamineHCID 3741048PerfluorobutanesulfonateHCID 18411300(4-Hydroxyphenyl)-diphenylsulfaniumHCID 86596792HCID 86596792, compound

Product 2

HCID 3741048PerfluorobutanesulfonateHCID 86596791[4-[2-(2-Bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethyl]sulfonyloxyphenyl]-diphenylsulfanium

Sources & evidence

ORD record
ord-4a0198ffb7204a11988397ac51eb2920
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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