Methanol → p-Toluenesulfonic acid

HRID 1560973Notes

Reaction equation

HRID 1560973 reaction equation
[CH3:52][OH:53].[NH2:1][CH2:2][CH2:3][S:4](=[O:5])(=[O:6])[N:7]([NH:8][C:9]([CH:10]([CH2:11][CH:12]([CH3:13])[CH3:14])[CH:15]([CH2:16][CH:17]=[CH:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[C:25]([NH:26][O:27][CH:28]1[CH2:29][CH2:30][CH2:31][CH2:32][O:33]1)=[O:34])=[O:35])[CH2:36][CH:37]([CH3:38])[CH3:39].[OH2:40].[c:41]1([CH3:51])[cH:42][cH:43][c:44]([S:47](=[O:48])(=[O:49])[OH:50])[cH:45][cH:46]1>>[NH2:1][CH2:2][CH2:3][S:4](=[O:5])(=[O:6])[N:7]([NH:8][C:9]([CH:10]([CH2:11][CH:12]([CH3:13])[CH3:14])[CH:15]([CH2:16][CH:17]=[CH:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[C:25]([NH:26][OH:27])=[O:34])=[O:35])[CH2:36][CH:37]([CH3:38])[CH3:39].[c:41]1([CH3:51])[cH:42][cH:43][c:44]([S:47](=[O:48])(=[O:49])[OH:50])[cH:45][cH:46]1

Participants

6

Reactant 4

HCID 887MethanolHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 178445405HCID 178445405, compound

Product 2

HCID 6101p-Toluenesulfonic acidHCID 178445404HCID 178445404, compound

Sources & evidence

ORD record
ord-36804b9125ed4e0cbe7438ce6896ac1c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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