Abdulrahman Mahgoub

6 Questions 8 Answers 0 Followers

Questions related from Abdulrahman Mahgoub

How can I perform a DFT calculation on an allylic anion species using Gaussian?

I have an allylic organic compound that I’ll be deprotonating to make an allylic anion. This anion will have the lone pair delocalizing on 2 different (chemically non equivalent) carbons. I’m...

04 July 2023 2,929 3 View

Can I import an already developed pharmacophore model from a paper to Maestro?

I want to do an alignment study for a ligand I have on an already published pharmacophore model by another group. Are there any available ways to import this pharmacophore model to Maestro to do...

01 January 2023 8,213 1 View

Why trans protons and antiperiplanar protons have higher coupling constants in HNMR?

Why in HNMR the coupling constant of trans protons (typically ~17Hz) is higher than the cis protons (typically ~10Hz)? Also, why the antiperiplanar protons in a cyclohexane derivative have higher...

12 June 2020 4,856 4 View

Can I proceed Heck coupling on a compound in the salt form?

Can I do heck coupling reaction on a compound in salt form without turning it into a free base? As for example doing Heck coupling on p-chloropyridiniumchlroide. I don't want to turn my compound...

20 April 2020 5,735 12 View

Is 0.5 ml of DMSO enough to react my (200mg) Ar-Cl with 1.2 equivalent of primary amine using Ullman reaction?

I'm trying to react Ar-CL compound (200mg) with a primary amine (1.2 equivalent), and I've found in the literature that they're using a very low amount of solvents (like 0.5ml) to proceed the...

18 March 2020 1,149 5 View

Can I proceed N-Boc protection for an organic compound which is in the di-phosphate salt form?

My di-phosphate salt compound contains two 3ry amino groups involved in salt formation and a one 2ry amine group that's not involved in salt formation. I wanna proceed N-Boc protection for this...

16 March 2020 1,080 3 View