Ethanol → p-Toluenesulfonic acid

HRID 181253Notes

Reaction equation

HRID 181253 reaction equation
[CH3:46][CH2:47][OH:48].[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH:9]([C:10](=[O:11])[N:12]2[CH:13]([C:18]#[N:19])[CH2:14][CH:15]([F:17])[CH2:16]2)[NH:20][C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[c:28]2[cH:29][cH:30][c:31]([F:34])[cH:32][cH:33]2)[cH:6][cH:7]1.[c:35]1([CH3:45])[cH:36][cH:37][c:38]([S:41](=[O:42])(=[O:43])[OH:44])[cH:39][cH:40]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH:9]([C:10](=[O:11])[N:12]2[CH:13]([C:18]#[N:19])[CH2:14][CH:15]([F:17])[CH2:16]2)[NH2:20])[c:28]2[cH:29][cH:30][c:31]([F:34])[cH:32][cH:33]2)[cH:6][cH:7]1.[c:35]1([CH3:45])[cH:36][cH:37][c:38]([S:41](=[O:42])(=[O:43])[OH:44])[cH:39][cH:40]1

Participants

5

Reactant 3

HCID 702EthanolHCID 6101p-Toluenesulfonic acidHCID 178453791HCID 178453791, compound

Product 2

HCID 6101p-Toluenesulfonic acidHCID 21899706HCID 21899706, compound

Sources & evidence

ORD record
ord-d2af4e9910b5458b903614c0098ae7a4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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