Ethanol → p-Toluenesulfonic acid

HRID 2150994Notes

Reaction equation

HRID 2150994 reaction equation
[CH3:48][CH2:49][OH:50].[NH2:23][CH:24]1[CH:25]2[N:26]([CH:27]([C:36](=[O:37])[O:38][CH2:39][c:40]3[cH:41][cH:42][cH:43][cH:44][cH:45]3)[C:28]3([S:29]2)[CH2:30][CH2:31][N:32]([CH3:35])[CH2:33][CH2:34]3)[C:46]1=[O:47].[c:12]1([CH3:22])[cH:13][cH:14][c:15]([S:18](=[O:19])(=[O:20])[OH:21])[cH:16][cH:17]1.[c:1]1([CH3:11])[cH:2][cH:3][c:4]([S:7](=[O:8])(=[O:9])[OH:10])[cH:5][cH:6]1>>[NH2:23][CH:24]1[CH:25]2[N:26]([CH:27]([C:36](=[O:37])[OH:38])[C:28]3([S:29]2)[CH2:30][CH2:31][N:32]([CH3:35])[CH2:33][CH2:34]3)[C:46]1=[O:47].[c:12]1([CH3:22])[cH:13][cH:14][c:15]([S:18](=[O:19])(=[O:20])[OH:21])[cH:16][cH:17]1.[c:1]1([CH3:11])[cH:2][cH:3][c:4]([S:7](=[O:8])(=[O:9])[OH:10])[cH:5][cH:6]1

Participants

5

Reactant 3

HCID 702EthanolHCID 6101p-Toluenesulfonic acid2×HCID 178480005HCID 178480005, compound

Product 2

HCID 6101p-Toluenesulfonic acid2×HCID 23458741HCID 23458741, compound

Sources & evidence

ORD record
ord-4d36a5e4c6f64b60996ce55dedd333fe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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