SMIRKS
[C:1]([C:2]([C:3]#[N:4])([C:5]1:[C:6]([H:13]):[C:7]([H:14]):[C:8]([H:15]):[C:9]([H:16]):[C:10]:1[H:17])[H:18])([H:19])([H:20])[H:21]>>[H]O[C:3](=O)[C:2]([C:1]([H:19])([H:20])[H:21])([C:5]1:[C:6]([H:13]):[C:7]([H:14]):[C:8]([H:15]):[C:9]([H:16]):[C:10]:1[H:17])[H:18].[H][N:4]([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-R6565
[C:1]([C:2]([C:3]#[N:4])([C:5]1:[C:6]([H:13]):[C:7]([H:14]):[C:8]([H:15]):[C:9]([H:16]):[C:10]:1[H:17])[H:18])([H:19])([H:20])[H:21].[H][O:11][H].[H][O:12][H:24]>>[C:1]([C:2]([C:3](=[O:11])[O:12][H:24])([C:5]1:[C:6]([H:13]):[C:7]([H:14]):[C:8]([H:15]):[C:9]([H:16]):[C:10]:1[H:17])[H:18])([H:19])([H:20])[H:21].[H][N:4]([H])[H]