Contents

<cml>
<reactionList>
<reaction id="reaction-hydrolize-ester">
<reactantList>
<reactant>
<molecule id="m1">
<atomArray>
<atom id="a1" title="R" elementType="Du" x2="79.0" y2="974.17694" myProperty="1"/>
<atom id="a2" elementType="C" x2="115.00001" y2="974.17694"/>
<atom id="a3" elementType="O" x2="133.00002" y2="943.0"/>
<atom id="a4" elementType="O" x2="133.00002" y2="1005.3538"/>
<atom id="a5" title="R" elementType="Du" x2="169.00002" y2="943.0"/>
</atomArray>
<bondArray>
<bond id="b1" atomRefs2="a1 a2" order="S"/>
<bond id="b2" atomRefs2="a2 a3" order="S"/>
<bond id="b3" atomRefs2="a2 a4" order="D"/>
<bond id="b4" atomRefs2="a3 a5" order="S"/>
</bondArray>
</molecule>
</reactant>
<reactant>
<molecule id="m2">
<atomArray>
<atom id="a6" elementType="O" x2="239.00003" y2="974.17694" hydrogenCount="2"/>
</atomArray>
</molecule>
</reactant>
</reactantList>
<productList>
<product>
<molecule id="m3">
<atomArray>
<atom id="a7" title="R" elementType="Du" x2="324.00003" y2="973.17694"/>
<atom id="a8" elementType="C" x2="360.00006" y2="973.17694"/>
<atom id="a9" elementType="O" x2="378.00006" y2="942.0" hydrogenCount="1"/>
<atom id="a10" elementType="O" x2="378.00006" y2="1004.3538"/>
</atomArray>
<bondArray>
<bond id="b5" atomRefs2="a7 a8" order="S"/>
<bond id="b6" atomRefs2="a8 a9" order="S"/>
<bond id="b7" atomRefs2="a8 a10" order="D"/>
</bondArray>
</molecule>
</product>
<product>
<molecule id="m4">
<atomArray>
<atom id="a11" title="R" elementType="Du" x2="465.00006" y2="968.17694"/>
<atom id="a12" elementType="O" x2="501.00006" y2="968.17694" hydrogenCount="1"/>
</atomArray>
<bondArray>
<bond id="b8" atomRefs2="a11 a12" order="S"/>
</bondArray>
</molecule>
</product>
</productList>
</reaction>

</reactionList>
</cml>

Version data entries

1 entries across 1 versions & 1 rubygems

Version	Path
toxtree-0.0.1	Toxtree-v2.6.13/src/toxTree/config/reactions/reaction-hydrolize-C(dO)O.cml