SMIRKS
[C:1]([C:2]([O:3][C:4](=[C:5]([C:6]#[N:7])[H:10])[H:11])([H:12])[H:13])([H:14])([H:15])[H:16]>>[H]O[C:6](=O)[C:5](=[C:4]([O:3][C:2]([C:1]([H:14])([H:15])[H:16])([H:12])[H:13])[H:11])[H:10].[H][N:7]([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-R6596
[C:1]([C:2]([O:3][C:4](=[C:5]([C:6]#[N:7])[H:10])[H:11])([H:12])[H:13])([H:14])([H:15])[H:16].[H][O:8][H].[H][O:9][H:19]>>[C:1]([C:2]([O:3][C:4](=[C:5]([C:6](=[O:8])[O:9][H:19])[H:10])[H:11])([H:12])[H:13])([H:14])([H:15])[H:16].[H][N:7]([H])[H]