SMIRKS
[H]OC(=O)C([H])([H])[C@@]([H])(C(=O)O[H])N([H])[C:8](=[O:9])[C:10]([F:11])([F:12])[F:13]>>[H]O[C:8](=[O:9])[C:10]([F:11])([F:12])[F:13]
Derived Operators
EVODEX.1-F220 - Elemental Balance
| O | -3 |
| C | -4 |
| N | -1 |
| H | -5 |
EVODEX.1-M72 - Mass Difference
-115.02695
EVODEX.1-E931 - Reaction Operator E
[#8]=[#6](-[#8]-[H])-[#6](-[#6@](-[#7](-[#6:8](=[#8:9])-[#6:10])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H]>>[#8](-[#6:8](=[#8:9])-[#6:10])-[H]
EVODEX.1-C618 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#8]-[H])-[#7](-[H])-[#6:8]>>[H]-[#8]-[#6:8]
EVODEX.1-N773 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#8]-[H])-[#7](-[H])-[#6:8](=[#8:9])-[#6:10]>>[H]-[#8]-[#6:8](=[#8:9])-[#6:10]
EVODEX.1-Em3 - Reaction Operator Em
[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]>>[H]-[#8]-[#6:42](-[#6:40])=[#8:43]
EVODEX.1-Nm3 - Reaction Operator Nm
[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]>>[H]-[#8]-[#6:42](-[#6:40])=[#8:43]
Source Full Reactions
EVODEX.1-R6286
[O:2]=[C:3]([O:4][H:17])[C:5]([C@:6]([N:7]([C:8](=[O:9])[C:10]([F:11])([F:12])[F:13])[H:18])([C:14](=[O:15])[O:16][H:19])[H:20])([H:21])[H:22].[H][O:1][H:23]>>[H][N:7]([C@@:6]([C:5]([C:3](=[O:2])[O:4][H:17])([H:21])[H:22])([C:14](=[O:15])[O:16][H:19])[H:20])[H:18].[O:1]([C:8](=[O:9])[C:10]([F:11])([F:12])[F:13])[H:23]