SMIRKS
[H][O:4][C:3](C#N)([C:5]1:[C:6]([H:11]):[C:7]([H:12]):[O:8]:[C:9]:1[H:13])[H:14]>>[C:3](=[O:4])([C:5]1:[C:6]([H:11]):[C:7]([H:12]):[O:8]:[C:9]:1[H:13])[H:14]
Derived Operators
EVODEX.1-F295 - Elemental Balance
| C | -1 |
| N | -1 |
| H | -1 |
EVODEX.1-M145 - Mass Difference
-27.01093
EVODEX.1-E1061 - Reaction Operator E
[#6:7]-[#6@:8](-[#8:9]-[H])(-[#6]#[#7])-[H:13]>>[#6:7]-[#6:8](=[#8:9])-[H:13]
EVODEX.1-N923 - Reaction Operator N
[H]-[#8:4]-[#6@:3](-[#6]#[#7])(-[#6:5])-[H:18]>>[#6:3](=[#8:4])(-[#6:5])-[H:18]
Source Full Reactions
EVODEX.1-R6942
[H][O:4][C:3]([C:2]#[N:1])([C:5]1:[C:6]([H:11]):[C:7]([H:12]):[O:8]:[C:9]:1[H:13])[H:14]>>[C:3](=[O:4])([C:5]1:[C:6]([H:11]):[C:7]([H:12]):[O:8]:[C:9]:1[H:13])[H:14].[H][C:2]#[N:1]