Ethanol → p-Toluenesulfonic acid

HRID 1142456Notes

Reaction equation

HRID 1142456 reaction equation
[CH3:37][CH2:38][OH:39].[F:1][c:2]1[n:3][c:4]([CH3:24])[cH:5][cH:6][c:7]1[O:8][CH2:9][CH:10]1[N:11]([C:14]([O:15][CH2:16][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)=[O:23])[CH2:12][CH2:13]1.[OH2:25].[c:26]1([CH3:36])[cH:27][cH:28][c:29]([S:32](=[O:33])(=[O:34])[OH:35])[cH:30][cH:31]1>>[F:1][c:2]1[n:3][c:4]([CH3:24])[cH:5][cH:6][c:7]1[O:8][CH2:9][CH:10]1[NH:11][CH2:12][CH2:13]1.[c:26]1([CH3:36])[cH:27][cH:28][c:29]([S:32](=[O:33])(=[O:34])[OH:35])[cH:30][cH:31]1

Participants

6

Reactant 4

HCID 702EthanolHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 178426836HCID 178426836, compound

Product 2

HCID 6101p-Toluenesulfonic acidHCID 22451574HCID 22451574, compound

Sources & evidence

ORD record
ord-ea83c22b89d2408e8e273c907ff006ae
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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