SMIRKS
[H]OC(=O)C([H])([H])N([H])C(=O)C([H])([H])N([H])[C:10]([C@@:9]1([H:35])[N:5]([C:3]([C:2]([N:1]([H:38])[H:39])([H:36])[H:37])=[O:4])[C:6]([H:22])([H:23])[C:7]([H:24])([H:25])[C:8]1([H:26])[H:27])=[O:11]>>[H]O[C:10]([C@@:9]1([H:35])[N:5]([C:3]([C:2]([N:1]([H:38])[H:39])([H:36])[H:37])=[O:4])[C:6]([H:22])([H:23])[C:7]([H:24])([H:25])[C:8]1([H:26])[H:27])=[O:11]
Derived Operators
EVODEX.1-F177 - Elemental Balance
| O | -2 |
| C | -4 |
| N | -2 |
| H | -6 |
EVODEX.1-M121 - Mass Difference
-114.04298
EVODEX.1-E861 - Reaction Operator E
[#6:3]-[#6:4](=[#8:5])-[#7](-[#6](-[#6](=[#8])-[#7](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])-[H])(-[H])-[H])-[H]>>[#6:3]-[#6:4](=[#8:5])-[#8]-[H]
EVODEX.1-C564 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6:11]>>[H]-[#8]-[#6:11]
EVODEX.1-N717 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6:11](=[#8:12])-[#6:13]>>[H]-[#8]-[#6:11](=[#8:12])-[#6:13]
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-R5611
[N:1]([C:2]([C:3](=[O:4])[N:5]1[C:6]([H:22])([H:23])[C:7]([H:24])([H:25])[C:8]([H:26])([H:27])[C@:9]1([C:10](=[O:11])[N:12]([C:13]([C:14](=[O:15])[N:16]([C:17]([C:18](=[O:19])[O:20][H:28])([H:29])[H:30])[H:31])([H:32])[H:33])[H:34])[H:35])([H:36])[H:37])([H:38])[H:39].[H][O:21][H:40]>>[H][N:12]([C:13]([C:14](=[O:15])[N:16]([C:17]([C:18](=[O:19])[O:20][H:28])([H:29])[H:30])[H:31])([H:32])[H:33])[H:34].[N:1]([C:2]([C:3](=[O:4])[N:5]1[C:6]([H:22])([H:23])[C:7]([H:24])([H:25])[C:8]([H:26])([H:27])[C@:9]1([C:10](=[O:11])[O:21][H:40])[H:35])([H:36])[H:37])([H:38])[H:39]