SMIRKS
[H]OC(=O)[C@@]([H])(N([H])[C:7](=[O:8])[C@@:9]([N:10]([H:22])[H:23])([C:11]([C:12]([N:13]([H:24])[H:25])=[O:14])([H:26])[H:27])[H:28])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]>>[H]O[C:7](=[O:8])[C@@:9]([N:10]([H:22])[H:23])([C:11]([C:12]([N:13]([H:24])[H:25])=[O:14])([H:26])[H:27])[H:28]
Derived Operators
EVODEX.1-F252 - Elemental Balance
| O | -1 |
| C | -6 |
| N | -1 |
| H | -11 |
EVODEX.1-M83 - Mass Difference
-113.08413
EVODEX.1-E979 - Reaction Operator E
[#6:2]-[#6:3](=[#8:4])-[#7](-[#6@](-[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H]>>[#6:2]-[#6:3](=[#8:4])-[#8]-[H]
EVODEX.1-C545 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@](-[H])(-[#7](-[H])-[#6:3])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:3]
EVODEX.1-N696 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@](-[H])(-[#7](-[H])-[#6:3](-[#6:2])=[#8:4])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:3](-[#6:2])=[#8:4]
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-R5406
[C:1]([C:2]([C:3]([H:19])([H:20])[H:21])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C@@:9]([N:10]([H:22])[H:23])([C:11]([C:12]([N:13]([H:24])[H:25])=[O:14])([H:26])[H:27])[H:28])[H:29])([C:15](=[O:16])[O:17][H:30])[H:31])([H:32])[H:33])[H:34])([H:35])([H:36])[H:37].[H][O:18][H:38]>>[C:7](=[O:8])([C@@:9]([N:10]([H:22])[H:23])([C:11]([C:12]([N:13]([H:24])[H:25])=[O:14])([H:26])[H:27])[H:28])[O:18][H:38].[H][N:6]([C@@:5]([C:4]([C:2]([C:1]([H:35])([H:36])[H:37])([C:3]([H:19])([H:20])[H:21])[H:34])([H:32])[H:33])([C:15](=[O:16])[O:17][H:30])[H:31])[H:29]