Ethanol → p-Toluenesulfonate

HRID 1572219Notes

Reaction equation

HRID 1572219 reaction equation
[CH3:28][N:29]([CH3:30])[CH3:31].[CH3:32][CH2:33][OH:34].[OH:1][C:2]1([CH:14]([CH2:15][c:16]2[c:17]([CH3:26])[cH:18][cH:19][c:20]([S:22](=[O:23])(=[O:24])[O-:25])[cH:21]2)[CH3:27])[CH:3]([c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[CH2:4][CH2:5][CH2:6][CH2:7]1>>[OH:1][C:2]1([CH:14]([CH2:15][N+:29]([CH3:28])([CH3:30])[CH3:31])[CH3:27])[CH:3]([c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[CH2:4][CH2:5][CH2:6][CH2:7]1.[cH:16]1[c:17]([CH3:26])[cH:18][cH:19][c:20]([S:22](=[O:23])(=[O:24])[O-:25])[cH:21]1

Participants

5

Reactant 3

HCID 702EthanolHCID 1146TrimethylamineHCID 86733809HCID 86733809, compound

Product 2

HCID 85570p-ToluenesulfonateHCID 21519237HCID 21519237, compound

Sources & evidence

ORD record
ord-86995c5a4fcf4e08b8e6b49074634f6d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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