Water → Perfluorobutanesulfonate

HRID 191697Notes

Reaction equation

HRID 191697 reaction equation
[CH2:38]([CH2:39][CH2:40][CH3:41])[S:42](=[O:43])(=[O:44])[Cl:45].[CH3:46][CH2:47][N:48]([CH2:49][CH3:50])[CH2:51][CH3:52].[Cl:54][CH2:55][Cl:56].[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].[OH2:53].[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:42]([CH2:38][CH2:39][CH2:40][CH3:41])(=[O:43])=[O:44]

Participants

8

Reactant 6

HCID 962WaterHCID 6344DichloromethaneHCID 8471TriethylamineHCID 754301-Butanesulfonyl chlorideHCID 3741048PerfluorobutanesulfonateHCID 18411300(4-Hydroxyphenyl)-diphenylsulfanium

Product 2

HCID 3741048PerfluorobutanesulfonateHCID 86596789HCID 86596789, compound

Sources & evidence

ORD record
ord-ee9a5f91f90d4ba5a4f6b44fb4bec652
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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