SMIRKS
[C:1]([C:2](=[C:3]([N:4]([H:9])[H:10])[C:5]#[N:6])[H:11])([H:12])([H:13])[H:14]>>[H]O[C:5](=O)[C:3](=[C:2]([C:1]([H:12])([H:13])[H:14])[H:11])[N:4]([H:9])[H:10].[H][N:6]([H])[H]
Derived Operators
EVODEX.1-M21 - Mass Difference
36.021119999999996
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-Em691 - Reaction Operator Em
[#6:1]=[#6:2]-[#6:4]#[#7:5]>>[H]-[#8]-[#6:4](=[#8])-[#6:2]=[#6:1].[H]-[#7:5](-[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-R6597
[C:1]([C:2](=[C:3]([N:4]([H:9])[H:10])[C:5]#[N:6])[H:11])([H:12])([H:13])[H:14].[H][O:7][H].[H][O:8][H:17]>>[C:1]([C:2](=[C:3]([N:4]([H:9])[H:10])[C:5](=[O:7])[O:8][H:17])[H:11])([H:12])([H:13])[H:14].[H][N:6]([H])[H]