SMIRKS
[H]OC(=O)C([H])([H])[C@]([H])(C(=O)O[H])N([H])[C:4]([C:3]([C:2]([C:1]([H:26])([H:27])[H:28])([H:24])[H:25])([H:22])[H:23])=[O:5]>>[H]O[C:4]([C:3]([C:2]([C:1]([H:26])([H:27])[H:28])([H:24])[H:25])([H:22])[H:23])=[O:5]
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-R6250
[C:1]([C:2]([C:3]([C:4](=[O:5])[N:6]([C@:7]([C:8]([C:9](=[O:10])[O:11][H:16])([H:17])[H:18])([C:12](=[O:13])[O:14][H:19])[H:20])[H:21])([H:22])[H:23])([H:24])[H:25])([H:26])([H:27])[H:28].[H][O:15][H:29]>>[C:1]([C:2]([C:3]([C:4](=[O:5])[O:15][H:29])([H:22])[H:23])([H:24])[H:25])([H:26])([H:27])[H:28].[H][N:6]([C@:7]([C:8]([C:9](=[O:10])[O:11][H:16])([H:17])[H:18])([C:12](=[O:13])[O:14][H:19])[H:20])[H:21]