Benzene → p-Toluenesulfonic acid

HRID 165701Notes

Reaction equation

HRID 165701 reaction equation
[C:13]([CH3:14])([CH3:15])([CH3:16])[CH:17]([C:18](=[O:19])[O-:20])[C:21]1([CH2:30][NH2:31])[CH:22]2[CH:23]=[CH:24][CH:25]([CH2:28][CH3:29])[CH:26]2[CH2:27]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.[cH:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1>>[CH2:17]([C:18](=[O:19])[OH:20])[C:21]1([CH2:30][NH2:31])[CH:22]2[CH:23]=[CH:24][CH:25]([CH2:28][CH3:29])[CH:26]2[CH2:27]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 241BenzeneHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 178435444HCID 178435444, compound

Product 2

HCID 6101p-Toluenesulfonic acidHCID 178435443HCID 178435443, compound

Sources & evidence

ORD record
ord-c0c433c5acbf42ba9f7ae94ab1e4981a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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