Water → p-Toluenesulfonic acid

HRID 2339265Notes

Reaction equation

HRID 2339265 reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:8][CH2:9][CH:10]1[CH2:11][CH2:12][N:13]([CH2:16][C:17]2([C:23](=[O:24])[OH:25])[CH2:18][CH2:19][O:20][CH2:21][CH2:22]2)[CH2:14][CH2:15]1)([CH3:5])([CH3:6])[CH3:7].[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[CH:45]([OH:46])([CH3:47])[CH3:48].[OH2:26].[c:27]1([CH3:37])[cH:28][cH:29][c:30]([S:33](=[O:34])(=[O:35])[OH:36])[cH:31][cH:32]1>>[NH2:8][CH2:9][CH:10]1[CH2:11][CH2:12][N:13]([CH2:16][C:17]2([C:23](=[O:24])[OH:25])[CH2:18][CH2:19][O:20][CH2:21][CH2:22]2)[CH2:14][CH2:15]1.[c:27]1([CH3:37])[cH:28][cH:29][c:30]([S:33](=[O:34])(=[O:35])[OH:36])[cH:31][cH:32]1

Participants

7

Reactant 5

HCID 962WaterHCID 3776IsopropanolHCID 6101p-Toluenesulfonic acidHCID 8471TriethylamineHCID 672319944-[(4-{[(tert-butoxycarbonyl)amino]methyl}piperidin-1-yl)methyl]tetrahydro-2H-pyran-4-carboxylic acid

Product 2

HCID 6101p-Toluenesulfonic acidHCID 67231963HCID 67231963, compound

Sources & evidence

ORD record
ord-7a4eb4bb1a694a9cb730c806de64f050
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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