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
20	4	16473	Aldrich Database

Explanations:

Starting material defined relative
STEREO: Mapped 0 Inverted 0 Undefined 1
Ease of intercovertibility: Hard (14)
The following synthetic steps were used to generate this starting material
... Oxygen Generalisation (Carboxy)
... Alkyl Halide from Secondary Alcohol
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.
... 6 Membered ring
... Cyclic appendage with heteroatom beta
... Tertiary Stereocentre
... Stereocentre on a 6 Membered Ring provides steric control
... Cyclic Stereocentre

Retrosynthetic steps:

... Friedel-Crafts Alkylation

... Carboxy Reduction 2

... Ether Formation (Alcohol)

C A E S A

Intermediate steps for

paxil.mol