SMIRKS
[H][N:6]([H])[C:5](=O)[C@@:3]([C:2]([C:1]([H:14])([H:15])[H:16])([H:12])[H:13])([O:4][H:8])[H:11]>>[C:1]([C:2]([C@@:3]([O:4][H:8])([C:5]#[N:6])[H:11])([H:12])[H:13])([H:14])([H:15])[H:16]
Derived Operators
EVODEX.1-F33 - Elemental Balance
| O | -1 |
| H | -2 |
EVODEX.1-M4 - Mass Difference
-18.010559999999998
EVODEX.1-E482 - Reaction Operator E
[#6:5](-[#6@:4])(-[#7:6](-[H])-[H])=[#8]>>[#6:5](-[#6@:4])#[#7:6]
EVODEX.1-N952 - Reaction Operator N
[H]-[#7:6](-[H])-[#6:5](=[#8])-[#6@@:3]>>[#6:5](-[#6@@:3])#[#7:6]
Source Full Reactions
EVODEX.1-R7049
[H][N:6]([H])[C:5]([C@@:3]([C:2]([C:1]([H:14])([H:15])[H:16])([H:12])[H:13])([O:4][H:8])[H:11])=[O:7]>>[C:1]([C:2]([C@@:3]([O:4][H:8])([C:5]#[N:6])[H:11])([H:12])[H:13])([H:14])([H:15])[H:16].[H][O:7][H]