SMIRKS
[H]N([H])[C:7]([C@:5]([C:3]([C:2]([C:1]([H:22])([H:23])[H:24])([H:20])[H:21])([C:4]([H:11])([H:12])[H:13])[H:19])([N:6]([H:14])[H:15])[H:18])=[O:9].[H][O:10][H:25]>>[C:1]([C:2]([C:3]([C:4]([H:11])([H:12])[H:13])([C@:5]([N:6]([H:14])[H:15])([C:7](=[O:9])[O:10][H:25])[H:18])[H:19])([H:20])[H:21])([H:22])([H:23])[H:24]
Derived Operators
EVODEX.1-F73 - Elemental Balance
| N | -1 |
| H | -3 |
EVODEX.1-M12 - Mass Difference
-17.02659
EVODEX.1-E626 - Reaction Operator E
[#6:6]-[#6:7](-[#7](-[H])-[H])=[#8:9].[#8:10](-[H:21])-[H]>>[#6:6]-[#6:7](=[#8:9])-[#8:10]-[H:21]
EVODEX.1-N1137 - Reaction Operator N
[H]-[#7](-[H])-[#6:21](-[#6@:5])=[#8:23].[H]-[#8:24]-[H:48]>>[#6:21](-[#6@:5])(=[#8:23])-[#8:24]-[H:48]
EVODEX.1-Em641 - Reaction Operator Em
[H]-[#7](-[H])-[#6:8](-[#6:7])=[#8:10].[H]-[#8:14]>>[#6:7]-[#6:8](=[#8:10])-[#8:14]
EVODEX.1-Nm576 - Reaction Operator Nm
[H]-[#7](-[H])-[#6:8](-[#6:7])=[#8:10].[H]-[#8:14]>>[#6:7]-[#6:8](=[#8:10])-[#8:14]
Source Full Reactions
EVODEX.1-R5433
[C:1]([C:2]([C:3]([C:4]([H:11])([H:12])[H:13])([C@:5]([N:6]([H:14])[H:15])([C:7]([N:8]([H:16])[H:17])=[O:9])[H:18])[H:19])([H:20])[H:21])([H:22])([H:23])[H:24].[H][O:10][H:25]>>[C:1]([C:2]([C:3]([C:4]([H:11])([H:12])[H:13])([C@:5]([N:6]([H:14])[H:15])([C:7](=[O:9])[O:10][H:25])[H:18])[H:19])([H:20])[H:21])([H:22])([H:23])[H:24].[H][N:8]([H:16])[H:17]