SMIRKS
[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4]([H:13])([H:14])[C:5]1([C:6]#[N:7])[H:15])([H:16])([H:17])[H:18]>>[H]O[C:6](=O)[C:5]1([H:15])[C:2]([C:1]([H:16])([H:17])[H:18])([C:3]([H:10])([H:11])[H:12])[C:4]1([H:13])[H:14].[H][N:7]([H])[H]
Derived Operators
EVODEX.1-M21 - Mass Difference
36.021119999999996
EVODEX.1-E871 - Reaction Operator E
[#7:1]#[#6:2]-[#6:3]>>[#6:2](-[#6:3])(=[#8])-[#8]-[H].[#7:1](-[H])(-[H])-[H]
EVODEX.1-N57 - Reaction Operator N
[#6:2]-[#6:4]#[#7:5]>>[H]-[#8]-[#6:4](=[#8])-[#6:2].[H]-[#7:5](-[H])-[H]
EVODEX.1-Em132 - Reaction Operator Em
[#6:3]-[#6:5]#[#7:6]>>[H]-[#8]-[#6:5](=[#8])-[#6:3].[H]-[#7:6](-[H])-[H]
EVODEX.1-Nm88 - Reaction Operator Nm
[#6:3]-[#6:5]#[#7:6]>>[H]-[#8]-[#6:5](=[#8])-[#6:3].[H]-[#7:6](-[H])-[H]
Source Full Reactions
EVODEX.1-R6579
[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4]([H:13])([H:14])[C:5]1([C:6]#[N:7])[H:15])([H:16])([H:17])[H:18].[H][O:8][H].[H][O:9][H:21]>>[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4]([H:13])([H:14])[C:5]1([C:6](=[O:8])[O:9][H:21])[H:15])([H:16])([H:17])[H:18].[H][N:7]([H])[H]