Water → Methanesulfonic Acid

HRID 1140959Notes

Reaction equation

HRID 1140959 reaction equation
[CH2:50]1[O:51][CH2:52][CH2:53][CH2:54]1.[CH3:45][S:46](=[O:47])(=[O:48])[OH:49].[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([S:10](=[O:11])(=[O:12])[N:13]([CH2:14][CH:15]([CH3:16])[CH3:17])[CH2:18][CH:19]([CH:20]([CH2:21][c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[N:28]([CH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)[CH2:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1)[OH:43])[cH:9]2.[OH2:44]>>[CH3:45][S:46](=[O:47])(=[O:48])[OH:49].[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([S:10](=[O:11])(=[O:12])[N:13]([CH2:14][CH:15]([CH3:16])[CH3:17])[CH2:18][CH:19]([CH:20]([CH2:21][c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[NH2:28])[OH:43])[cH:9]2

Participants

6

Reactant 4

HCID 962WaterHCID 6395Methanesulfonic AcidHCID 8028TetrahydrofuranHCID 21878419HCID 21878419, compound

Product 2

HCID 6395Methanesulfonic AcidHCID 18731978HCID 18731978, compound

Sources & evidence

ORD record
ord-afe2f62d812f4989bd8084afeb66fd8b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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