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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
33 4 0 Aldrich Database
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Explanations:
Starting material defined relative
STEREO: Mapped 1 Inverted 0 Undefined 0
Ease of intercovertibility: Reasonable (6)
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.
... Formation of an Acylic Carbon-Carbon bond may cause a problem
... Tertiary acyclic branched point with heteroatom, 1 Me
... Secondary Stereocentre
... Acyclic Stereocentre
... Isolated Stereocentre

Retrosynthetic steps:
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... Nucleophilic Opening of Epoxide
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... Amide Formation 1
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