Ethanol → p-Toluenesulfonic acid

HRID 113118Notes

Reaction equation

HRID 113118 reaction equation
[Al+3:2].[C:12](#[N:13])[c:14]1[n:15]([CH2:19][c:20]2[s:21][cH:22][cH:23][cH:24]2)[cH:16][cH:17][n:18]1.[CH3:36][CH2:37][OH:38].[H-:1].[H-:4].[H-:5].[H-:6].[Li+:3].[O:39]1[CH2:40][CH2:41][CH2:42][CH2:43]1.[S:7](=[O:8])(=[O:9])([OH:10])[OH:11].[c:25]1([CH3:35])[cH:26][cH:27][c:28]([S:31](=[O:32])(=[O:33])[OH:34])[cH:29][cH:30]1>>[CH2:12]([NH2:13])[c:14]1[n:15]([CH2:19][c:20]2[s:21][cH:22][cH:23][cH:24]2)[cH:16][cH:17][n:18]1.[c:25]1([CH3:35])[cH:26][cH:27][c:28]([S:31](=[O:32])(=[O:33])[OH:34])[cH:29][cH:30]1

Participants

10

Reactant 8

HCID 702EthanolHCID 1118Sulfuric AcidHCID 6101p-Toluenesulfonic acidHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 104727Aluminum CationHCID 166653Hydride4×HCID 14478517HCID 14478517, compound

Product 2

HCID 6101p-Toluenesulfonic acidHCID 14403249HCID 14403249, compound

Sources & evidence

ORD record
ord-5a44ad5f6c8a4ae6b9880753448d8f3e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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