Ethanol → 4-[[5-Methyl-2-(1-methylethyl)phenoxy]methyl]piperidine-1-propylamine

Reaction equation

[CH3:1][c:2]1[cH:3][cH:4][c:5]([CH:30]([CH3:31])[CH3:32])[c:6]([O:7][CH2:8][CH:9]2[CH2:10][CH2:11][N:12]([CH2:15][CH2:16][CH2:17][N:18]3[C:19](=[O:20])[c:21]4[c:22]([cH:23][cH:24][cH:25][cH:26]4)[C:27]3=[O:28])[CH2:13][CH2:14]2)[cH:29]1.[CH3:36][CH2:37][OH:38].[NH2:34][NH2:35].[OH2:33]>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([CH:30]([CH3:31])[CH3:32])[c:6]([O:7][CH2:8][CH:9]2[CH2:10][CH2:11][N:12]([CH2:15][CH2:16][CH2:17][NH2:18])[CH2:13][CH2:14]2)[cH:29]1

Participants

Reactant 4

HCID 702Ethanol

HCID 962Water

HCID 9321Hydrazine

HCID 199348062-[3-[4-[[5-Methyl-2-(1-methylethyl)phenoxy]methyl]piperid-1-yl]propyl]-1H-isoindole-1,3(2H)-dione

Product 1

HCID 156701034-[[5-Methyl-2-(1-methylethyl)phenoxy]methyl]piperidine-1-propylamine

Sources & evidence

ORD record: ord-2d162abb63ff41819a0620f9d975c5c5
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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