Water → p-Toluenesulfonic acid

HRID 151657Notes

Reaction equation

HRID 151657 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:21](=[O:22])[OH:23])[CH2:18][CH2:19][CH2:20]2)[CH2:14][CH2:15]1)([CH3:5])([CH3:6])[CH3:7].[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1.[OH2:24].[c:25]1([CH3:35])[cH:26][cH:27][c:28]([S:31](=[O:32])(=[O:33])[OH:34])[cH:29][cH:30]1>>[NH2:8][CH2:9][CH:10]1[CH2:11][CH2:12][N:13]([CH2:16][C:17]2([C:21](=[O:22])[OH:23])[CH2:18][CH2:19][CH2:20]2)[CH2:14][CH2:15]1.[c:25]1([CH3:35])[cH:26][cH:27][c:28]([S:31](=[O:32])(=[O:33])[OH:34])[cH:29][cH:30]1

Participants

7

Reactant 5

HCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 672328231-[(4-{[(Tert-butoxycarbonyl)amino]methyl}piperidin-1-yl)methyl]cyclobutanecarboxylic acid

Product 2

HCID 6101p-Toluenesulfonic acidHCID 703242221-[[4-(Aminomethyl)piperidin-1-yl]methyl]cyclobutane-1-carboxylic acid

Sources & evidence

ORD record
ord-7eacf73f689544a39f4e28c2a55755c5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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