SMIRKS
[H][N:8]([H])[C:7](=O)[C:4]([C:2]([C:1]([H:21])([H:22])[H:23])([C:3]([H:10])([H:11])[H:12])[H:20])([C:5]([H:13])([H:14])[H:15])[N:6]([H:16])[H:17]>>[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]([C:5]([H:13])([H:14])[H:15])([N:6]([H:16])[H:17])[C:7]#[N:8])[H:20])([H:21])([H:22])[H:23]
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-R7036
[H][N:8]([H])[C:7]([C:4]([C:2]([C:1]([H:21])([H:22])[H:23])([C:3]([H:10])([H:11])[H:12])[H:20])([C:5]([H:13])([H:14])[H:15])[N:6]([H:16])[H:17])=[O:9]>>[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]([C:5]([H:13])([H:14])[H:15])([N:6]([H:16])[H:17])[C:7]#[N:8])[H:20])([H:21])([H:22])[H:23].[H][O:9][H]