Cambridge Open Engage home
What is Cambridge Open Engage?
How to Submit
Browse
About
News [opens in a new tab]

Proofreading Experimentally Assigned Stereochemistry Through Q2MM Predictions in Pd-Catalyzed Allylic Aminations

06 May 2021, Version 1
Working Paper
This content is a preprint and has not undergone peer review at the time of posting.

Abstract

We present a modelling method which can predict the enantioselectivity of Pd-catalyzed allylic amination with P,N-ligands. The Q2MM method employed here is accurate enough to identify errors in enantiomer assignment from literature data.

Keywords

Q2MM
Tsuji-Trost
Asymmetric Catalysis
Prediction

Supplementary materials

Title
Description
Actions
Title
Pdallyl 2021 04 30
Description
Actions
Title
Pdallyl SI 2021 04 26
Description
Actions
Title
Pdallyl SI 2021 04 26
Description
Actions

Comments

Comments are not moderated before they are posted, but they can be removed by the site moderators if they are found to be in contravention of our Commenting Policy [opens in a new tab] - please read this policy before you post. Comments should be used for scholarly discussion of the content in question. You can find more information about how to use the commenting feature here [opens in a new tab] .
This site is protected by reCAPTCHA and the Google Privacy Policy [opens in a new tab] and Terms of Service [opens in a new tab] apply.

Version History

May 06, 2021 Version 1

Version Notes

First submitted version

Metrics

1,259
268
0
Views
Downloads
Citations

License

CC logo
CC
BY logo
BY
NC logo
NC
ND logo
ND
The content is available under CC BY NC ND 4.0 [opens in a new tab]

DOI

10.26434/chemrxiv.14534388.v1
D O I: 10.26434/chemrxiv.14534388.v1 [opens in a new tab]

Funding

CHE-1855900
PID2019-104904GB-I00
2017SGR1472

Author’s competing interest statement

No conflict

Share