> AOCR > Distributed Version

aocr-2.0 Web Utility Guide

4. How to proceed with the examples

4.2. Decarboxylation reaction

Select mal2 from Open preprepared compounds under File in the Composer. When the formula appears press Save start. Now select mal1. When the formula is displayed press Save searched.

Set the Computation Tool in the following way, where no indication means to leave the field empty or the box unchecked:

1. Computation

MAIN: start

TWO STEPS IN ONE: checked

GENERATION LEVELS: 3-3

RULE APPLICATION BOUND: 5

DISTINCT: checked

DOMAIN: 2,4-10,19,20,27-32

2. Computation

MAIN: continue

GENERATION BOUND: 2000

RULE APPLICATION BOUND: 5

DISTINCT: checked

DOMAIN: 2,4-10,19,20,27-32

The program should have found a synthesis!

3. Computation

(The program runs faster, if just those rules used in the previous synthesis are allowed):

MAIN: start

TWO STEPS IN ONE: checked

GENERATION LEVELS: 3-3

RULE APPLICATION BOUND: 0,15:5,17:5,26:5,10:5

DISTINCT: checked

DOMAIN: 2,4-10,19,20,27-32

4. Computation

MAIN: continue

GENERATION BOUND: 2000

RULE APPLICATION BOUND:5

DISTINCT: checked

DOMAIN: 2,4-10,19,20,27-32

The program should have found a synthesis!

To view the synthesis choose Open step in derivation from File in the Graphic Composer.

<< back