Ethanol → (4r)-1-Azatricyclo[3.3.1.13,7]decane-4-carbonitrile

Reaction equation

[CH3:25][C:26]([CH3:27])([O-:28])[CH3:29].[CH3:31][O:32][CH2:33][CH2:34][O:35][CH3:36].[CH3:37][CH2:38][OH:39].[K+:30].[N:1]12[CH2:2][CH:3]3[C:4](=[O:11])[CH:5]([CH2:6][CH:7]([CH2:8]1)[CH2:9]3)[CH2:10]2.[c:12]1([CH3:13])[cH:14][cH:15][c:16]([S:17](=[O:19])(=[O:20])[CH2:21][N+:22]#[C-:18])[cH:23][cH:24]1>>[N:1]12[CH2:2][CH:3]3[CH:4]([C:21]#[N:22])[CH:5]([CH2:6][CH:7]([CH2:8]1)[CH2:9]3)[CH2:10]2

Participants

Reactant 6

HCID 702Ethanol

HCID 813Potassium Cation

HCID 80711,2-Dimethoxyethane

HCID 1426421-Azatricyclo(3.3.1.1,3,7)decan-4-one

HCID 161915Tosylmethyl isocyanide

HCID 45749132-Methylpropan-2-olate

Product 1

HCID 15214081(4r)-1-Azatricyclo[3.3.1.13,7]decane-4-carbonitrile

Sources & evidence

ORD record: ord-1ca19924488b474e942dc8756f0662e0
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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