Methanol → p-Toluenesulfonic acid

HRID 1213197Notes

Reaction equation

HRID 1213197 reaction equation
[CH3:53][OH:54].[CH:49]([OH:50])([CH3:51])[CH3:52].[O:1]1[CH2:2][CH2:3][CH2:4][CH2:5][CH:6]1[O:7][NH:8][C:9](=[O:10])[CH:11]([CH2:12][CH2:13][CH2:14][c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)[CH:21]([C:22](=[O:23])[NH:24][N:25]1[C:26](=[O:32])[CH2:27][NH:28][CH2:29][C:30]1=[O:31])[CH2:33][CH:34]([CH3:35])[CH3:36].[OH2:37].[c:38]1([CH3:48])[cH:39][cH:40][c:41]([S:44](=[O:45])(=[O:46])[OH:47])[cH:42][cH:43]1>>[OH:7][NH:8][C:9](=[O:10])[CH:11]([CH2:12][CH2:13][CH2:14][c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)[CH:21]([C:22](=[O:23])[NH:24][N:25]1[C:26](=[O:32])[CH2:27][NH:28][CH2:29][C:30]1=[O:31])[CH2:33][CH:34]([CH3:35])[CH3:36].[c:38]1([CH3:48])[cH:39][cH:40][c:41]([S:44](=[O:45])(=[O:46])[OH:47])[cH:42][cH:43]1

Participants

7

Reactant 5

HCID 887MethanolHCID 962WaterHCID 3776IsopropanolHCID 6101p-Toluenesulfonic acidHCID 178445304HCID 178445304, compound

Product 2

HCID 6101p-Toluenesulfonic acidHCID 178445302HCID 178445302, compound

Sources & evidence

ORD record
ord-41b94ed25da24029b74da3a5bd802288
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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