3-Oxetanemethanol, 3-(1,1-dimethylethyl)- → 4-t-Butyl-1-(but-3-ynylthiomethyl)-2,6,7-trioxabicyclo[2.2.2]octane

HRID 1140032Notes

Reaction equation

HRID 1140032 reaction equation
[C:10]([C:11]1([CH2:12][OH:13])[CH2:14][O:15][CH2:16]1)([CH3:17])([CH3:18])[CH3:19].[C:20]([CH3:21])([CH3:22])([CH3:23])[C:24]12[CH2:25][O:26][C:27]([CH:32]([CH3:33])[S:34][CH2:35][CH2:36][C:37]#[CH:38])([O:28][CH2:29]1)[O:30][CH2:31]2.[CH2:1]([S:2][CH2:3][C:4]([OH:5])=[O:6])[CH2:7][C:8]#[CH:9]>>[C:20]([CH3:21])([CH3:22])([CH3:23])[C:24]12[CH2:25][O:26][C:27]([CH2:32][S:34][CH2:35][CH2:36][C:37]#[CH:38])([O:28][CH2:29]1)[O:30][CH2:31]2

Participants

4

Reactant 3

HCID 1807403-Oxetanemethanol, 3-(1,1-dimethylethyl)-HCID 193732562-(But-3-ynylthio)acetic acidHCID 198970494-t-Butyl-1-[1-(but-3-yn-1-ylthio)ethyl]-2,6,7-trioxabicyclo[2.2.2]octane

Product 1

HCID 193733124-t-Butyl-1-(but-3-ynylthiomethyl)-2,6,7-trioxabicyclo[2.2.2]octane

Sources & evidence

ORD record
ord-9eed6a37a5e84fd3b7fa9065a5213aaf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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