SMIRKS
[H]N([H])[C@@:2]([H])([C:3](=[O:4])[O:5][H:16])[C:6]1:[C:7]([H:17]):[C:8]([H:18]):[C:9]([H:19]):[C:10]([H:20]):[C:11]:1[F:12].[O:14]=[O:15].[H][O:13][H]>>[C:2]([C:3](=[O:4])[O:5][H:16])([C:6]1:[C:7]([H:17]):[C:8]([H:18]):[C:9]([H:19]):[C:10]([H:20]):[C:11]:1[F:12])=[O:13].[H][O:14][O:15][H]
Derived Operators
EVODEX.1-F73 - Elemental Balance
| N | -1 |
| H | -3 |
EVODEX.1-M12 - Mass Difference
-17.02659
EVODEX.1-C62 - Reaction Operator C
[H]-[#7](-[H])-[#6:2]-[H].[#8:10]=[#8:11].[H]-[#8:9]-[H]>>[#6:2]=[#8:9].[H]-[#8:10]-[#8:11]-[H]
EVODEX.1-N46 - Reaction Operator N
[H]-[#7](-[H])-[#6@@:2](-[H])(-[#6:3])-[#6:6].[#8:14]=[#8:15].[H]-[#8:13]-[H]>>[#6:2](-[#6:3])(-[#6:6])=[#8:13].[H]-[#8:14]-[#8:15]-[H]
EVODEX.1-Em354 - Reaction Operator Em
[H]-[#7](-[H])-[#6:2](-[H])(-[#6:3]=[#8:4])-[#6:6].[#8:14]=[#8:15].[H]-[#8:13]-[H]>>[#6:2](-[#6:3]=[#8:4])(-[#6:6])=[#8:13].[H]-[#8:14]-[#8:15]-[H]
EVODEX.1-Cm99 - Reaction Operator Cm
[#7]-[#6:2]-[H].[#8:10]=[#8:11].[H]-[#8:9]-[H]>>[#6:2]=[#8:9].[H]-[#8:10]-[#8:11]-[H]
EVODEX.1-Nm119 - Reaction Operator Nm
[H]-[#7](-[H])-[#6:2](-[H])(-[#6:3])-[#6:6].[#8:14]=[#8:15].[H]-[#8:13]-[H]>>[#6:2](-[#6:3])(-[#6:6])=[#8:13].[H]-[#8:14]-[#8:15]-[H]
Source Full Reactions
EVODEX.1-R1003
[H][C@:2]([N:1]([H:22])[H:23])([C:3](=[O:4])[O:5][H:16])[C:6]1:[C:7]([H:17]):[C:8]([H:18]):[C:9]([H:19]):[C:10]([H:20]):[C:11]:1[F:12].[O:14]=[O:15].[H][O:13][H]>>[C:2]([C:3](=[O:4])[O:5][H:16])([C:6]1:[C:7]([H:17]):[C:8]([H:18]):[C:9]([H:19]):[C:10]([H:20]):[C:11]:1[F:12])=[O:13].[H][N:1]([H:22])[H:23].[H][O:14][O:15][H]