SMIRKS
[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])[C:4]([C@:2]([C:1]([H:32])([H:33])[H:34])([N:3]([H:18])[H:19])[H:31])=[O:5])C([H])([H])[H])C([H])([H])[H]>>[H]O[C:4]([C@:2]([C:1]([H:32])([H:33])[H:34])([N:3]([H:18])[H:19])[H:31])=[O:5]
Derived Operators
EVODEX.1-F483 - Elemental Balance
| C | -6 |
| O | -2 |
| N | -2 |
| H | -10 |
EVODEX.1-M460 - Mass Difference
-142.07430000000002
EVODEX.1-E1299 - Reaction Operator E
[#6](-[#6@](-[#7](-[#6](=[#8])-[#6@](-[#6](-[H])(-[H])-[H])(-[#7](-[#6:9](=[#8:10])-[#6@:11])-[H])-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])(-[H])-[H]>>[#6:9](=[#8:10])(-[#6@:11])-[#8]-[H]
EVODEX.1-C565 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:25])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:25]
EVODEX.1-N718 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:25](-[#6@:5])=[#8:26])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:25](-[#6@:5])=[#8:26]
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-R5439
[C:1]([C@:2]([N:3]([H:18])[H:19])([C:4](=[O:5])[N:6]([C@@:7]([C:8]([H:20])([H:21])[H:22])([C:9](=[O:10])[N:11]([C@@:12]([C:13]([H:23])([H:24])[H:25])([C:14](=[O:15])[O:16][H:26])[H:27])[H:28])[H:29])[H:30])[H:31])([H:32])([H:33])[H:34].[H][O:17][H:35]>>[C:1]([C@:2]([N:3]([H:18])[H:19])([C:4](=[O:5])[O:17][H:35])[H:31])([H:32])([H:33])[H:34].[H][N:6]([C@@:7]([C:8]([H:20])([H:21])[H:22])([C:9](=[O:10])[N:11]([C@@:12]([C:13]([H:23])([H:24])[H:25])([C:14](=[O:15])[O:16][H:26])[H:27])[H:28])[H:29])[H:30]