Ethanol → Methanesulfonate

Reaction equation

[CH3:16][O:17][S:18]([CH3:19])(=[O:20])=[O:21].[CH3:22][CH2:23][OH:24].[c:1]1([NH:7][c:8]2[n:9][c:10]([NH2:15])[n:11][c:12]([CH3:14])[cH:13]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[O:17]=[S:18]([CH3:19])(=[O:20])[O-:21].[c:1]1([NH:7][c:8]2[n:9][c:10]([NH2:15])[n+:11]([CH3:16])[c:12]([CH3:14])[cH:13]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

Reactant 3

HCID 702Ethanol

HCID 4156Methyl Methanesulfonate

HCID 6082032-Amino-4-phenylamino-6-methylpyrimidine

Product 2

HCID 85257Methanesulfonate

HCID 120932611,6-dimethyl-4-N-phenylpyrimidin-1-ium-2,4-diamine

Sources & evidence

ORD record: ord-b513cd6d18aa422a9fac4cee5ad87aa0
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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