SMIRKS
[C:1]([O:2][C:3]1:[C:4]([H:13]):[C:5]([H:14]):[C:6]([C:7]#[N:8]):[C:9]([H:15]):[C:10]:1[H:16])([H:17])([H:18])[H:19]>>[H]O[C:7](=O)[C:6]1:[C:5]([H:14]):[C:4]([H:13]):[C:3]([O:2][C:1]([H:17])([H:18])[H:19]):[C:10]([H:16]):[C:9]:1[H:15].[H][N:8]([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-R6555
[C:1]([O:2][C:3]1:[C:4]([H:13]):[C:5]([H:14]):[C:6]([C:7]#[N:8]):[C:9]([H:15]):[C:10]:1[H:16])([H:17])([H:18])[H:19].[H][O:11][H].[H][O:12][H:22]>>[C:1]([O:2][C:3]1:[C:4]([H:13]):[C:5]([H:14]):[C:6]([C:7](=[O:11])[O:12][H:22]):[C:9]([H:15]):[C:10]:1[H:16])([H:17])([H:18])[H:19].[H][N:8]([H])[H]