SMIRKS
[C:1]([O:2][C:3]1:[C:4]([H:14]):[C:5]([H:15]):[C:6]([C:7]([C:8]#[N:9])([H:16])[H:17]):[C:10]([H:18]):[C:11]:1[H:19])([H:20])([H:21])[H:22]>>[H]O[C:8](=O)[C:7]([C:6]1:[C:5]([H:15]):[C:4]([H:14]):[C:3]([O:2][C:1]([H:20])([H:21])[H:22]):[C:11]([H:19]):[C:10]:1[H:18])([H:16])[H:17].[H][N:9]([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-R6566
[C:1]([O:2][C:3]1:[C:4]([H:14]):[C:5]([H:15]):[C:6]([C:7]([C:8]#[N:9])([H:16])[H:17]):[C:10]([H:18]):[C:11]:1[H:19])([H:20])([H:21])[H:22].[H][O:12][H].[H][O:13][H:25]>>[C:1]([O:2][C:3]1:[C:4]([H:14]):[C:5]([H:15]):[C:6]([C:7]([C:8](=[O:12])[O:13][H:25])([H:16])[H:17]):[C:10]([H:18]):[C:11]:1[H:19])([H:20])([H:21])[H:22].[H][N:9]([H])[H]