Methanol → p-Toluenesulfonic acid

HRID 2159143Notes

Reaction equation

HRID 2159143 reaction equation
[CH3:48][OH:49].[Cl:1][C:2]1([CH3:35])[CH2:3][S:4][CH:5]2[N:6]([CH:7]1[C:8](=[O:9])[O:10][CH2:11][c:12]1[cH:13][cH:14][c:15]([N+:18](=[O:19])[O-:20])[cH:16][cH:17]1)[C:21](=[O:34])[CH:22]2[NH:23][C:24](=[O:25])[CH2:26][O:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1.[OH2:36].[c:37]1([CH3:47])[cH:38][cH:39][c:40]([S:43](=[O:44])(=[O:45])[OH:46])[cH:41][cH:42]1>>[Cl:1][C:2]1([CH3:35])[CH2:3][S:4][CH:5]2[N:6]([CH:7]1[C:8](=[O:9])[O:10][CH2:11][c:12]1[cH:13][cH:14][c:15]([N+:18](=[O:19])[O-:20])[cH:16][cH:17]1)[C:21](=[O:34])[CH:22]2[NH2:23].[c:37]1([CH3:47])[cH:38][cH:39][c:40]([S:43](=[O:44])(=[O:45])[OH:46])[cH:41][cH:42]1

Participants

6

Reactant 4

HCID 887MethanolHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 178429787HCID 178429787, compound

Product 2

HCID 6101p-Toluenesulfonic acidHCID 21314184HCID 21314184, compound

Sources & evidence

ORD record
ord-224ea7b3f4394c94a0477f1da6af05f3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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