SMIRKS
[N:1]#[C:2][C:3](=[C:4]([C:5]1:[C:6]([H:14]):[C:7]([H:15]):[C:8]([O:9][H:16]):[C:10]([H:17]):[C:11]:1[H:18])[H:19])[H:20]>>[H]O[C:2](=O)[C:3](=[C:4]([C:5]1:[C:6]([H:14]):[C:7]([H:15]):[C:8]([O:9][H:16]):[C:10]([H:17]):[C:11]:1[H:18])[H:19])[H:20].[H][N:1]([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-R6595
[N:1]#[C:2][C:3](=[C:4]([C:5]1:[C:6]([H:14]):[C:7]([H:15]):[C:8]([O:9][H:16]):[C:10]([H:17]):[C:11]:1[H:18])[H:19])[H:20].[H][O:12][H].[H][O:13][H:23]>>[C:2]([C:3](=[C:4]([C:5]1:[C:6]([H:14]):[C:7]([H:15]):[C:8]([O:9][H:16]):[C:10]([H:17]):[C:11]:1[H:18])[H:19])[H:20])(=[O:12])[O:13][H:23].[H][N:1]([H])[H]