Created
July 8, 2016 18:37
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String smi = "[CH3:9][CH:8]([CH3:10])[c:7]1[cH:11][cH:12][cH:13][cH:14][cH:15]1.[CH2:3]([CH2:4][C:5](=[O:6])Cl)[CH2:2][Cl:1]>[Al+3].[Cl-].[Cl-].[Cl-].C(Cl)Cl>[CH3:9][CH:8]([CH3:10])[c:7]1[cH:11][cH:12][c:13]([cH:14][cH:15]1)[C:5](=[O:6])[CH2:4][CH2:3][CH2:2][Cl:1] |f:2.3.4.5| Friedel-Crafts acylation [3.10.1]"; | |
IChemObjectBuilder bldr = SilentChemObjectBuilder.getInstance(); | |
SmilesParser smipar = new SmilesParser(bldr); | |
IReaction rxn = smipar.parseReactionSmiles(smi); | |
new DepictionGenerator().withAtomMapHighlight(new Color[]{new Color(0xAAC0FF), | |
new Color(0x8BFFB9)}) | |
.withOuterGlowHighlight() | |
.depict(rxn) | |
.writeTo("~/rxn.svg"); |
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