Methanesulfonic Acid → Methanesulfonic Acid

HRID 176413Notes

Reaction equation

HRID 176413 reaction equation
[CH3:33][S:34]([OH:35])(=[O:36])=[O:37].[CH3:38][CH2:39][O:40][C:41](=[O:42])[CH3:43].[Cl:1][c:2]1[c:3](-[c:13]2[n:14]3[c:15]([s:16][cH:17]2)[c:18]([N:23]([CH:24]2[CH2:25][CH2:26][O:27][CH2:28][CH2:29]2)[CH2:30][CH2:31][CH3:32])[c:19]([O:21][CH3:22])[n:20]3)[c:4]([O:11][CH3:12])[cH:5][c:6]([CH2:8][O:9][CH3:10])[cH:7]1>>[CH3:33][S:34](=[O:35])(=[O:36])[OH:37].[Cl:1][c:2]1[c:3](-[c:13]2[n:14]3[c:15]([s:16][cH:17]2)[c:18]([N:23]([CH:24]2[CH2:25][CH2:26][O:27][CH2:28][CH2:29]2)[CH2:30][CH2:31][CH3:32])[c:19]([O:21][CH3:22])[n:20]3)[c:4]([O:11][CH3:12])[cH:5][c:6]([CH2:8][O:9][CH3:10])[cH:7]1

Participants

5

Reactant 3

HCID 6395Methanesulfonic AcidHCID 8857Ethyl AcetateHCID 44478733HCID 44478733, compound

Product 2

HCID 6395Methanesulfonic AcidHCID 44478733HCID 44478733, compound

Sources & evidence

ORD record
ord-48a7a36dc3ea463f986249bafceb39cb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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