Ethanol → p-Toluenesulfonic acid

HRID 151056Notes

Reaction equation

HRID 151056 reaction equation
[CH3:27][CH2:28][OH:29].[F:13][CH2:14][CH:15]1[CH2:16][N:17]([C:20]([O:21][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:26])[CH2:18][CH2:19]1.[OH2:1].[c:2]1([CH3:12])[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[OH:11])[cH:6][cH:7]1>>[F:13][CH2:14][CH:15]1[CH2:16][NH:17][CH2:18][CH2:19]1.[c:2]1([CH3:12])[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[OH:11])[cH:6][cH:7]1

Participants

6

Reactant 4

HCID 702EthanolHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 72472841Tert-butyl 3-(fluoromethyl)pyrrolidine-1-carboxylate

Product 2

HCID 6101p-Toluenesulfonic acidHCID 231102023-(Fluoromethyl)pyrrolidine

Sources & evidence

ORD record
ord-e939cfe316cc4a75867559fa68f5cd8f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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