SMIRKS
[C:1]([C@:2]([O:3][H:8])([C:4]#[N:5])[H:9])([H:10])([H:11])[H:12]>>[H]O[C:4](=O)[C:2]([C:1]([H:10])([H:11])[H:12])([O:3][H:8])[H:9].[H][N:5]([H])[H]
Derived Operators
EVODEX.1-M21 - Mass Difference
36.021119999999996
EVODEX.1-E872 - Reaction Operator E
[#6:2]-[#6:3](-[#8:4])(-[#6:5]#[#7:6])-[H:10]>>[#6:2]-[#6@:3](-[#8:4])(-[#6:5](=[#8])-[#8]-[H])-[H:10].[#7:6](-[H])(-[H])-[H]
EVODEX.1-C713 - Reaction Operator C
[#6:3]-[#6:5]#[#7:6]>>[H]-[#8]-[#6:5](=[#8])-[#6@:3].[H]-[#7:6](-[H])-[H]
EVODEX.1-N878 - Reaction Operator N
[#6:2]-[#6:3](-[#8:4])(-[#6:5]#[#7:6])-[H:10]>>[H]-[#8]-[#6:5](=[#8])-[#6@:3](-[#6:2])(-[#8:4])-[H:10].[H]-[#7:6](-[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-R6561
[C:1]([C@:2]([O:3][H:8])([C:4]#[N:5])[H:9])([H:10])([H:11])[H:12].[H][O:6][H].[H][O:7][H:15]>>[C:1]([C:2]([O:3][H:8])([C:4](=[O:6])[O:7][H:15])[H:9])([H:10])([H:11])[H:12].[H][N:5]([H])[H]