Methanol → Methanesulfonic Acid

HRID 1574067Notes

Reaction equation

HRID 1574067 reaction equation
[CH3:30][S:31]([OH:32])(=[O:33])=[O:34].[CH3:35][OH:36].[Cl:37][CH2:38][Cl:39].[F:1][c:2]1[c:3]([CH2:8][CH2:9][NH:10][CH2:11][c:12]2[cH:13][c:14]([O:28][CH3:29])[c:15]([O:16][c:17]3[n:18][cH:19][c:20]([C:21](=[O:22])[NH2:23])[cH:24][cH:25]3)[cH:26][cH:27]2)[cH:4][cH:5][cH:6][cH:7]1>>[CH3:30][S:31](=[O:32])(=[O:33])[OH:34].[F:1][c:2]1[c:3]([CH2:8][CH2:9][NH:10][CH2:11][c:12]2[cH:13][c:14]([O:28][CH3:29])[c:15]([O:16][c:17]3[n:18][cH:19][c:20]([C:21](=[O:22])[NH2:23])[cH:24][cH:25]3)[cH:26][cH:27]2)[cH:4][cH:5][cH:6][cH:7]1

Participants

6

Reactant 4

HCID 887MethanolHCID 6344DichloromethaneHCID 6395Methanesulfonic AcidHCID 597301146-(4-{[2-(2-Fluorophenyl)ethylamino)methyl}-2-methoxyphenoxy)nicotinamide

Product 2

HCID 6395Methanesulfonic AcidHCID 597301146-(4-{[2-(2-Fluorophenyl)ethylamino)methyl}-2-methoxyphenoxy)nicotinamide

Sources & evidence

ORD record
ord-af8b95be9ecd463482209ba913ad1639
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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