result is empty.
String smirks = "[#8;H1:2]-[#6:10]1:[#6:5](-[#8;H1:1]):[#6:6](-[*,#1:11]):[#6:7]:[#6:8]:[#6,#7:9]:1>>[#8&-:2]-[#6:10](=O)-[#6,#7:9]=[#6:8]-[#6:7]=[#6:6](-[*,#1:11])-[#6:5](-[#8&-:1])=O"; String smi = "O-C(=C-C=C-C=O)C([O-])=O"; String smirks = "[#8;H1:2]-[#6:10]1=[#6:5](-[#8;H1:1])-[#6:6](-[*,#1:11])=[#6:7]-[#6:8]=[#6,#7:9]-1>>[#8&-:2]-[#6:10](=O)-[#6,#7:9]=[#6:8]-[#6:7]=[#6:6](-[*,#1:11])-[#6:5](-[#8&-:1])=O"; String smi = "O-C(=C-C=C-C=O)C([O-])=O";
Examples are also provided as short, self-contained Java Unit Test:
https://github.com/mguetlein/TestAmbitSmarts/blob/master/src/test/java/org/kramerlab/test/TestAmbit.java
envipath ids:
rule4224
ar13
The substarte (the target molecule): "O-C(=C-C=C-C=O)C([O-])=O" on which the reaction is applied does not contain any ring. Therefore the reaction is rightly not applicable.
Fixed in 3.0.3-SNAPSHOT latest revision 7696
Please have a look at ticket #100. It's the same but with a meaningful substrate.