Water → Trifluoromethanesulfonic acid

HRID 120979Notes

Reaction equation

HRID 120979 reaction equation
[CH2:53]([Cl:54])[Cl:55].[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH3:56][CH2:57][O:58][CH2:59][CH3:60].[F:37][C:38]([F:39])([F:40])[S:41](=[O:42])(=[O:43])[O:44][S:45]([C:46]([F:47])([F:48])[F:49])(=[O:50])=[O:51].[OH2:52].[OH:1][c:2]1[c:3](-[c:8]2[n:9][s:10][c:11]3[c:12]2[cH:13][c:14](-[n:17]2[c:18](=[O:29])[n:19]([CH3:28])[c:20]([C:24]([F:25])([F:26])[F:27])[cH:21][c:22]2=[O:23])[cH:15][cH:16]3)[cH:4][cH:5][cH:6][cH:7]1>>[F:37][C:38]([F:39])([F:40])[S:41](=[O:42])(=[O:43])[OH:44].[OH:1][c:2]1[c:3](-[c:8]2[n:9][s:10][c:11]3[c:12]2[cH:13][c:14](-[n:17]2[c:18](=[O:29])[n:19]([CH3:28])[c:20]([C:24]([F:25])([F:26])[F:27])[cH:21][c:22]2=[O:23])[cH:15][cH:16]3)[cH:4][cH:5][cH:6][cH:7]1

Participants

8

Reactant 6

HCID 962WaterHCID 3283Diethyl EtherHCID 6344DichloromethaneHCID 8471TriethylamineHCID 67749Trifluoromethanesulfonic anhydrideHCID 135840836HCID 135840836, compound

Product 2

HCID 62406Trifluoromethanesulfonic acidHCID 135840836HCID 135840836, compound

Sources & evidence

ORD record
ord-bf40531fb950428fba70ccfd5180be7d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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