C A E S A

Computer Assisted Estimation of Synthetic Accessibility

Intermediate steps for	Used databases:	Aldrich Database, Maybridge Database
vasotec.mol	Source file:	/var/www/html/caesa_work/preprocess/top_drugs/top_drugs.sd

Score	Group Number	Database Reference	Source Database
38	0	60183	Maybridge Database

Explanations:

Starting material defined relative
STEREO: Mapped 1 Inverted 0 Undefined 0
Ease of intercovertibility: Hard (10)
The following synthetic steps were used to generate this starting material
... Ester
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.
... 5 Membered ring
... Cyclic appendage with heteroatom alpha
... Secondary Stereocentre
... Cyclic Stereocentre
... Isolated Stereocentre

Retrosynthetic steps:

... Organometallic addition to acyl halide

... Nucleophilic Opening of Epoxide

C A E S A

Intermediate steps for

vasotec.mol