SimBioSys logo

C A E S A

Computer Assisted Estimation of Synthetic Accessibility


Intermediate steps for

Used databases: Aldrich Database, Maybridge Database

paxil.mol

Source file: /var/www/html/caesa_work/preprocess/top_drugs/top_drugs.sd

Score Group Number Database Reference Source Database
57 2 0 Aldrich Database
smimg0005.png darrow smimg0006.png
Explanations:
Starting material defined relative
Ease of intercovertibility: Reasonable (8)
The following complexity features are fully contained within
this starting materials and are not considered to contribute
to the synthetic complexity of the target structure.
... Fusion composite, two heteroatom adjacent, carbon fusion
... 5 Membered ring
... 6 Membered ring
... Hetero Substituent on an aromatic ring, carbon on ring

Retrosynthetic steps:
inter2img0001.png
arrow
... Ether Formation (Halogen)
inter2img0002.png
inter2img0002.png
arrow
... N Alkylation 2
inter2img0003.png
inter2img0003.png
arrow
... Unmasking of Acetal
smimg0006.png