Methanol → p-Toluenesulfonic acid

HRID 119534Notes

Reaction equation

HRID 119534 reaction equation
[CH3:55][CH2:56][O:57][CH2:58][CH3:59].[CH3:60][OH:61].[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][CH:13]=[CH: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]([C:26]([CH:27]([NH2:28])[CH2:29][O:30][C:31]([CH3:32])([CH3:33])[CH3:34])=[O:35])[CH2:36][CH:37]([CH3:38])[CH3:39])[CH2:40][CH:41]([CH3:42])[CH3:43].[c:44]1([CH3:54])[cH:45][cH:46][c:47]([S:50](=[O:51])(=[O:52])[OH:53])[cH:48][cH:49]1>>[OH:7][NH:8][C:9](=[O:10])[CH:11]([CH2:12][CH:13]=[CH: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]([C:26]([CH:27]([NH2:28])[CH2:29][O:30][C:31]([CH3:32])([CH3:33])[CH3:34])=[O:35])[CH2:36][CH:37]([CH3:38])[CH3:39])[CH2:40][CH:41]([CH3:42])[CH3:43].[c:44]1([CH3:54])[cH:45][cH:46][c:47]([S:50](=[O:51])(=[O:52])[OH:53])[cH:48][cH:49]1

Participants

6

Reactant 4

HCID 887MethanolHCID 3283Diethyl EtherHCID 6101p-Toluenesulfonic acidHCID 178445390HCID 178445390, compound

Product 2

HCID 6101p-Toluenesulfonic acidHCID 178445389HCID 178445389, compound

Sources & evidence

ORD record
ord-c7c3517c7aa54119ae5494b0bc10e102
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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