Methanol → Methanesulfonate

HRID 206754Notes

Reaction equation

HRID 206754 reaction equation
[CH3:1][S:2]([OH:3])(=[O:4])=[O:5].[CH3:39][OH:40].[OH:6][CH:7]1[CH2:8][CH:9]2[CH2:10][CH2:11][CH:12]3[CH:13]4[CH2:14][CH2:15][CH:16]([C:17]([CH2:18][OH:19])=[O:20])[C:21]4([CH3:38])[CH2:22][C:23](=[O:37])[CH:24]3[C:25]2([CH3:36])[CH2:26][CH:27]1[N:28]1[CH2:29][C:30]([CH3:34])([CH3:35])[O:31][CH2:32][CH2:33]1>>[CH3:1][S:2](=[O:3])(=[O:4])[O-:5].[OH:6][CH:7]1[CH2:8][CH:9]2[CH2:10][CH2:11][CH:12]3[CH:13]4[CH2:14][CH2:15][CH:16]([C:17]([CH2:18][OH:19])=[O:20])[C:21]4([CH3:38])[CH2:22][C:23](=[O:37])[CH:24]3[C:25]2([CH3:36])[CH2:26][CH:27]1[N:28]1[CH2:29][C:30]([CH3:34])([CH3:35])[O:31][CH2:32][CH2:33]1

Participants

5

Reactant 3

HCID 887MethanolHCID 6395Methanesulfonic AcidHCID 1784281802-(2,2-dimethylmorpholin-4-yl)-3-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one

Product 2

HCID 85257MethanesulfonateHCID 1784281802-(2,2-dimethylmorpholin-4-yl)-3-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one

Sources & evidence

ORD record
ord-7fee98626c974bfd9d38a87499a1d046
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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