Methanol → p-Toluenesulfonic acid

HRID 1239035Notes

Reaction equation

HRID 1239035 reaction equation
[CH2:1]([CH3:2])[N:3]([CH2:4][CH2:5][CH2:6][S:7](=[O:8])(=[O:9])[N:10]([NH:11][C:12]([CH:13]([CH2:14][CH:15]([CH3:16])[CH3:17])[CH:18]([CH2:19][CH:20]=[CH:21][c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[C:28]([NH:29][O:30][CH:31]1[CH2:32][CH2:33][CH2:34][CH2:35][O:36]1)=[O:37])=[O:38])[CH2:39][CH:40]([CH3:41])[CH3:42])[CH2:43][CH3:44].[CH3:57][OH:58].[OH2:45].[c:46]1([CH3:56])[cH:47][cH:48][c:49]([S:52](=[O:53])(=[O:54])[OH:55])[cH:50][cH:51]1>>[CH2:1]([CH3:2])[N:3]([CH2:4][CH2:5][CH2:6][S:7](=[O:8])(=[O:9])[N:10]([NH:11][C:12]([CH:13]([CH2:14][CH:15]([CH3:16])[CH3:17])[CH:18]([CH2:19][CH:20]=[CH:21][c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[C:28]([NH:29][OH:30])=[O:37])=[O:38])[CH2:39][CH:40]([CH3:41])[CH3:42])[CH2:43][CH3:44].[c:46]1([CH3:56])[cH:47][cH:48][c:49]([S:52](=[O:53])(=[O:54])[OH:55])[cH:50][cH:51]1

Participants

6

Reactant 4

HCID 887MethanolHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 178464016HCID 178464016, compound

Product 2

HCID 6101p-Toluenesulfonic acidHCID 178464015HCID 178464015, compound

Sources & evidence

ORD record
ord-329d68e047f74b56ab822bd3845a58fc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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