Methanol → p-Toluenesulfonic acid

HRID 123580Notes

Reaction equation

HRID 123580 reaction equation
[CH3:56][OH:57].[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]([CH2:26][CH:27]([CH3:28])[CH3:29])[C:30]([CH2:31][C:32](=[O:33])[n:34]1[cH:35][n:36][cH:37][cH:38]1)=[O:39])[CH2:40][CH:41]([CH3:42])[CH3:43].[OH2:44].[c:45]1([CH3:55])[cH:46][cH:47][c:48]([S:51](=[O:52])(=[O:53])[OH:54])[cH:49][cH:50]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]([CH2:26][CH:27]([CH3:28])[CH3:29])[C:30]([CH2:31][C:32](=[O:33])[n:34]1[cH:35][n:36][cH:37][cH:38]1)=[O:39])[CH2:40][CH:41]([CH3:42])[CH3:43].[c:45]1([CH3:55])[cH:46][cH:47][c:48]([S:51](=[O:52])(=[O:53])[OH:54])[cH:49][cH:50]1

Participants

6

Reactant 4

HCID 887MethanolHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 178445378HCID 178445378, compound

Product 2

HCID 6101p-Toluenesulfonic acidHCID 178445376HCID 178445376, compound

Sources & evidence

ORD record
ord-893f9d06f4f04419a2ad49144ef0c82b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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