SMIRKS
[H]N([H])[C@:2]([H])([C:1]([H:21])([H:22])[H:23])[C:4]1:[C:5]([H:16]):[C:6]([H:17]):[C:7]([F:8]):[C:9]([H:18]):[C:10]:1[H:19].[H][O:11][H]>>[C:1]([C:2]([C:4]1:[C:5]([H:16]):[C:6]([H:17]):[C:7]([F:8]):[C:9]([H:18]):[C:10]:1[H:19])=[O:11])([H:21])([H:22])[H:23]
Derived Operators
EVODEX.1-F71 - Elemental Balance
| N | -1 |
| H | -5 |
EVODEX.1-M59 - Mass Difference
-19.04225
EVODEX.1-E619 - Reaction Operator E
[#7](-[#6:2](-[#6:3])(-[#6:9])-[H])(-[H])-[H].[#8:15](-[H])-[H]>>[#6:2](-[#6:3])(-[#6:9])=[#8:15]
EVODEX.1-N34 - Reaction Operator N
[H]-[#7](-[H])-[#6@:2](-[H])(-[#6:1])-[#6:4].[H]-[#8:14]-[H]>>[#6:1]-[#6:2](-[#6:4])=[#8:14]
EVODEX.1-Em358 - Reaction Operator Em
[H]-[#7](-[H])-[#6:2](-[H])(-[#6:1])-[#6:4].[H]-[#8:14]-[H]>>[#6:1]-[#6:2](-[#6:4])=[#8:14]
EVODEX.1-Nm106 - Reaction Operator Nm
[H]-[#7](-[H])-[#6:2](-[H])(-[#6:1])-[#6:4].[H]-[#8:14]-[H]>>[#6:1]-[#6:2](-[#6:4])=[#8:14]
Source Full Reactions
EVODEX.1-R929
[H][C@:2]([C:1]([H:21])([H:22])[H:23])([N:3]([H:14])[H:15])[C:4]1:[C:5]([H:16]):[C:6]([H:17]):[C:7]([F:8]):[C:9]([H:18]):[C:10]:1[H:19].[O:12]=[O:13].[H][O:11][H]>>[C:1]([C:2]([C:4]1:[C:5]([H:16]):[C:6]([H:17]):[C:7]([F:8]):[C:9]([H:18]):[C:10]:1[H:19])=[O:11])([H:21])([H:22])[H:23].[H][N:3]([H:14])[H:15].[H][O:12][O:13][H]