<?xml version="1.0" standalone="yes"?>
<!--

       Copyright 2011 Peter Murray-Rust et. al.

       Licensed under the Apache License, Version 2.0 (the "License");
       you may not use this file except in compliance with the License.
       You may obtain a copy of the License at

           http://www.apache.org/licenses/LICENSE-2.0

       Unless required by applicable law or agreed to in writing, software
       distributed under the License is distributed on an "AS IS" BASIS,
       WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
       See the License for the specific language governing permissions and
       limitations under the License.

-->

<reaction title="reaction6: simple esterification"
   xmlns="http://www.xml-cml.org/schema"
   xsi:schemaLocation="http://www.xml-cml.org/schema ../../schema.xsd" 
   xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
>
    <reactantList>
        <reactant id="r1" count="1">
            <molecule id="m1" title="acetic acid">
                <formula id="f1" concise="C 2 H 4 O 2"/>
            </molecule>
        </reactant>
        <reactant id="r2" count="1">
            <molecule id="m2" title="ethanol">
                <formula id="f2" concise="C 2 H 6 O 1"/>
            </molecule>
        </reactant>
    </reactantList>
    <substanceList>
        <substance id="s1" role="subst:catalyst">
            <amount id="a1" units="units:ml">1</amount>
            <name>0.1M HCl</name>
        </substance>
        <substance id="s2" role="subst:solvent">
            <amount id="a2" units="units:l">0.25</amount>
            <molecule id="m3" ref="dichloromethane"/>
        </substance>
    </substanceList>
    <conditionList>
        <scalar id="sc1" dictRef="cml:temp" units="units:celsius">65</scalar>
        <scalar id="sc2" dictRef="cml:vol" units="units:l">0.25</scalar>
    </conditionList>
    <productList>
        <product id="p1" count="1">
            <molecule id="m1" title="ethyl acetate">
                <formula id="f3" concise="C 4 H 8 O 2"/>
            </molecule>
            <amount id="a3" units="units:g">1.2</amount>
            <amount id="a4" units="units:percent">75.3</amount>
        </product>
      <!-- note: water is product of reaction but omitted -->
    </productList>
</reaction>

