Benzene → 2,2,6,6-Tetramethyl-4-(piperidin-1-yl)-1,2,3,6-tetrahydropyridine

Reaction equation

[CH2:12]1[CH2:13][CH2:14][NH:15][CH2:16][CH2:17]1.[CH3:1][C:2]1([CH3:11])[NH:3][C:4]([CH3:9])([CH3:10])[CH2:5][C:6](=[O:8])[CH2:7]1.[OH2:18].[OH2:30].[c:19]1([CH3:20])[cH:21][cH:22][c:23]([S:24]([OH:25])(=[O:26])=[O:27])[cH:28][cH:29]1.[cH:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1>>[CH3:1][C:2]1([CH3:11])[NH:3][C:4]([CH3:9])([CH3:10])[CH2:5][C:6]([N:15]2[CH2:14][CH2:13][CH2:12][CH2:17][CH2:16]2)=[CH:7]1

Participants

Reactant 5

HCID 241Benzene

HCID 962Water2×

HCID 6101p-Toluenesulfonic acid

HCID 8082Piperidine

HCID 132202,2,6,6-Tetramethyl-4-piperidone

Product 1

HCID 125926662,2,6,6-Tetramethyl-4-(piperidin-1-yl)-1,2,3,6-tetrahydropyridine

Sources & evidence

ORD record: ord-50f430b378a743a98a03679b74db2b02
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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