Ethanol → Methanesulfonic Acid

HRID 177068Notes

Reaction equation

HRID 177068 reaction equation
[CH2:6]([CH3:7])[N:8]([CH2:9][CH2:10][O:11][c:12]1[cH:13][cH:14][c:15]([OH:36])[c:16]([C:17](=[O:18])[NH:19][c:20]2[c:21]([C:22](=[O:23])[OH:24])[cH:25][cH:26][c:27](-[c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[cH:28]2)[cH:35]1)[CH2:37][CH3:38].[CH3:1][S:2]([OH:3])(=[O:4])=[O:5].[CH3:39][CH2:40][OH:41]>>[CH2:6]([CH3:7])[N:8]([CH2:9][CH2:10][O:11][c:12]1[cH:13][cH:14][c:15]([OH:36])[c:16]([C:17](=[O:18])[NH:19][c:20]2[c:21]([C:22](=[O:23])[OH:24])[cH:25][cH:26][c:27](-[c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[cH:28]2)[cH:35]1)[CH2:37][CH3:38].[CH3:1][S:2](=[O:3])(=[O:4])[OH:5]

Participants

5

Reactant 3

HCID 702EthanolHCID 6395Methanesulfonic AcidHCID 585088152-(5-(2-(Diethylamino)ethoxy)-2-hydroxybenzamido)-4-phenylbenzoic acid

Product 2

HCID 6395Methanesulfonic AcidHCID 585088152-(5-(2-(Diethylamino)ethoxy)-2-hydroxybenzamido)-4-phenylbenzoic acid

Sources & evidence

ORD record
ord-120eea541009436cb5a0c4fbeb955056
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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