SMIRKS
[H]OC(=O)C([H])([H])N([H])C(=O)C([H])([H])N([H])[C:11]([C@@:2]([N:1]([H:38])[H:39])([C:3]([C:4]1:[C:5]([H:23]):[C:6]([H:24]):[C:7]([O:8][H:25]):[C:9]([H:26]):[C:10]:1[H:27])([H:28])[H:29])[H:37])=[O:12]>>[H]O[C:11]([C@@:2]([N:1]([H:38])[H:39])([C:3]([C:4]1:[C:5]([H:23]):[C:6]([H:24]):[C:7]([O:8][H:25]):[C:9]([H:26]):[C:10]:1[H:27])([H:28])[H:29])[H:37])=[O:12]
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-R5552
[N:1]([C@@:2]([C:3]([C:4]1:[C:5]([H:23]):[C:6]([H:24]):[C:7]([O:8][H:25]):[C:9]([H:26]):[C:10]:1[H:27])([H:28])[H:29])([C:11](=[O:12])[N:13]([C:14]([C:15](=[O:16])[N:17]([C:18]([C:19](=[O:20])[O:21][H:30])([H:31])[H:32])[H:33])([H:34])[H:35])[H:36])[H:37])([H:38])[H:39].[H][O:22][H:40]>>[H][N:13]([C:14]([C:15](=[O:16])[N:17]([C:18]([C:19](=[O:20])[O:21][H:30])([H:31])[H:32])[H:33])([H:34])[H:35])[H:36].[N:1]([C@@:2]([C:3]([C:4]1:[C:5]([H:23]):[C:6]([H:24]):[C:7]([O:8][H:25]):[C:9]([H:26]):[C:10]:1[H:27])([H:28])[H:29])([C:11](=[O:12])[O:22][H:40])[H:37])([H:38])[H:39]