SMIRKS
[H]OC(=O)[C@@]([H])(N([H])[C:6](=[O:7])[C@:8]1([H:21])[C:9]([H:22])([H:23])[C:10]([H:24])([H:25])[C:11](=[O:12])[N:13]1[H:26])C([H])(C([H])([H])[H])C([H])([H])[H]>>[H]O[C:6](=[O:7])[C@:8]1([H:21])[C:9]([H:22])([H:23])[C:10]([H:24])([H:25])[C:11](=[O:12])[N:13]1[H:26]
Derived Operators
EVODEX.1-F257 - Elemental Balance
| O | -1 |
| C | -5 |
| N | -1 |
| H | -9 |
EVODEX.1-M179 - Mass Difference
-99.06847
EVODEX.1-E985 - Reaction Operator E
[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[#7](-[#6:6](=[#8:7])-[#6:8])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H])(-[H])(-[H])-[H]>>[#6:6](=[#8:7])(-[#6:8])-[#8]-[H]
EVODEX.1-C556 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:12])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:12]
EVODEX.1-N709 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:12](-[#6:11])=[#8:13])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:12](-[#6:11])=[#8:13]
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-R5750
[C:1]([C:2]([C:3]([H:18])([H:19])[H:20])([C@:4]([N:5]([C:6](=[O:7])[C@:8]1([H:21])[C:9]([H:22])([H:23])[C:10]([H:24])([H:25])[C:11](=[O:12])[N:13]1[H:26])[H:27])([C:14](=[O:15])[O:16][H:28])[H:29])[H:30])([H:31])([H:32])[H:33].[H][O:17][H:34]>>[C:6](=[O:7])([C@:8]1([H:21])[C:9]([H:22])([H:23])[C:10]([H:24])([H:25])[C:11](=[O:12])[N:13]1[H:26])[O:17][H:34].[H][N:5]([C@@:4]([C:2]([C:1]([H:31])([H:32])[H:33])([C:3]([H:18])([H:19])[H:20])[H:30])([C:14](=[O:15])[O:16][H:28])[H:29])[H:27]