Methanol → p-Toluenesulfonic acid

HRID 161775Notes

Reaction equation

HRID 161775 reaction equation
[CH3:56][OH:57].[CH:1]1([CH2:7][CH2:8][CH2:9][CH:10]([C:11]([NH:12][O:13][CH:14]2[CH2:15][CH2:16][CH2:17][CH2:18][O:19]2)=[O:20])[CH:21]([C:22](=[O:23])[NH:24][N:25]([C:26]([CH2:27][C:28](=[O:29])[n:30]2[cH:31][n:32][cH:33][cH:34]2)=[O:35])[CH2:36][CH:37]([CH3:38])[CH3:39])[CH2:40][CH:41]([CH3:42])[CH3:43])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[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>>[CH:1]1([CH2:7][CH2:8][CH2:9][CH:10]([C:11]([NH:12][OH:13])=[O:20])[CH:21]([C:22](=[O:23])[NH:24][N:25]([C:26]([CH2:27][C:28](=[O:29])[n:30]2[cH:31][n:32][cH:33][cH:34]2)=[O:35])[CH2:36][CH:37]([CH3:38])[CH3:39])[CH2:40][CH:41]([CH3:42])[CH3:43])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[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 178445379HCID 178445379, compound

Product 2

HCID 6101p-Toluenesulfonic acidHCID 178445377HCID 178445377, compound

Sources & evidence

ORD record
ord-1ae5d628cdd84507aad0b2205d91cb3d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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