Methanol → p-Toluenesulfonic acid

HRID 1121434Notes

Reaction equation

HRID 1121434 reaction equation
[CH3:1][N:2]([CH2:3][CH2:4][CH2:5][S:6](=[O:7])(=[O:8])[N:9]([NH:10][C:11]([CH:12]([CH2:13][CH:14]([CH3:15])[CH3:16])[CH:17]([CH2:18][CH:19]=[CH:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[C:27]([NH:28][O:29][CH:30]1[CH2:31][CH2:32][CH2:33][CH2:34][O:35]1)=[O:36])=[O:37])[CH2:38][CH:39]([CH3:40])[CH3:41])[CH3:42].[CH3:55][OH:56].[OH2:43].[c:44]1([CH3:54])[cH:45][cH:46][c:47]([S:50](=[O:51])(=[O:52])[OH:53])[cH:48][cH:49]1>>[CH3:1][N:2]([CH2:3][CH2:4][CH2:5][S:6](=[O:7])(=[O:8])[N:9]([NH:10][C:11]([CH:12]([CH2:13][CH:14]([CH3:15])[CH3:16])[CH:17]([CH2:18][CH:19]=[CH:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[C:27]([NH:28][OH:29])=[O:36])=[O:37])[CH2:38][CH:39]([CH3:40])[CH3:41])[CH3:42].[c:44]1([CH3:54])[cH:45][cH:46][c:47]([S:50](=[O:51])(=[O:52])[OH:53])[cH:48][cH:49]1

Participants

6

Reactant 4

HCID 887MethanolHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 178445403HCID 178445403, compound

Product 2

HCID 6101p-Toluenesulfonic acidHCID 178445402HCID 178445402, compound

Sources & evidence

ORD record
ord-2ea497ec1732416e82feb62305e3e3f5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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