SMIRKS
[H]OC(=O)C([H])([H])N([H])C(=O)C([H])([H])N([H])[C:11](=[O:12])[C:13]([N:14]([C:15](=[O:16])[O:17][C:18]([C:19]1:[C:20]([H:26]):[C:21]([H:27]):[C:22]([H:28]):[C:23]([H:29]):[C:24]:1[H:30])([H:31])[H:32])[H:33])([H:34])[H:35]>>[H]O[C:11](=[O:12])[C:13]([N:14]([C:15](=[O:16])[O:17][C:18]([C:19]1:[C:20]([H:26]):[C:21]([H:27]):[C:22]([H:28]):[C:23]([H:29]):[C:24]:1[H:30])([H:31])[H:32])[H:33])([H:34])[H:35]
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-R5645
[O:2]=[C:3]([O:4][H:25])[C:5]([N:6]([C:7](=[O:8])[C:9]([N:10]([C:11](=[O:12])[C:13]([N:14]([C:15](=[O:16])[O:17][C:18]([C:19]1:[C:20]([H:26]):[C:21]([H:27]):[C:22]([H:28]):[C:23]([H:29]):[C:24]:1[H:30])([H:31])[H:32])[H:33])([H:34])[H:35])[H:36])([H:37])[H:38])[H:39])([H:40])[H:41].[H][O:1][H:42]>>[H][N:10]([C:9]([C:7]([N:6]([C:5]([C:3](=[O:2])[O:4][H:25])([H:40])[H:41])[H:39])=[O:8])([H:37])[H:38])[H:36].[O:1]([C:11](=[O:12])[C:13]([N:14]([C:15](=[O:16])[O:17][C:18]([C:19]1:[C:20]([H:26]):[C:21]([H:27]):[C:22]([H:28]):[C:23]([H:29]):[C:24]:1[H:30])([H:31])[H:32])[H:33])([H:34])[H:35])[H:42]