The work presented in this report have been a subtask of the project Kemiska toxiska ämnen (Chemical Toxic Compounds) at FOI CBRN Defense and Security. The research has been accomplished during 2010 until March 2011. The aim have been method development regarding both synthetic procedures for biological active nucleophiles, with focus on nerve agent reactivator candidates, as well as developing relevant in silico molecular models for the nerve agent target protein acetylcholinesterase (AChE). We have synthesised several new compounds intended to serve as reactivators (medical antidotes) of nerve agent inhibited AChE. The structures of the target molecules presented in this report are based on a commercially available synthetic compound (HIT#1) that was one of the resulting hits in a HTS (High Throughput Screen) of a compound library from Umeå University, a screening made in 2009 by Fredrik Ekström (FOI). This report has focused on the synthesis and molecular studies of compounds based on the best HTS hit (HIT#1). Within the project we have also synthesised a reactivating analogue of another hit from the HTS that also showed excellent affinity towards AChE. This analouge have, unlike the analogues of the first hit, shown to both inhibit and reactivate sarin and tabun inhibited AChE, significantly better than the candidates presented here. This work will be reported later on.