SMIRKS
[H]OC(=O)[C@@]([H])(N([H])[C:13]([C@:2]([C:1]([H:46])([H:47])[H:48])([N:3]([C:4](=[O:5])[C:6](=[C:7]([C:8]1:[C:9]([H:26]):[C:10]([H:27]):[C:11]([H:28]):[O:12]:1)[H:29])[H:30])[H:31])[H:45])=[O:14])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H]>>[H]O[C:13]([C@:2]([C:1]([H:46])([H:47])[H:48])([N:3]([C:4](=[O:5])[C:6](=[C:7]([C:8]1:[C:9]([H:26]):[C:10]([H:27]):[C:11]([H:28]):[O:12]:1)[H:29])[H:30])[H:31])[H:45])=[O:14]
Derived Operators
EVODEX.1-F267 - Elemental Balance
| O | -1 |
| C | -6 |
| N | -2 |
| H | -12 |
EVODEX.1-M84 - Mass Difference
-128.09506000000002
EVODEX.1-E1009 - Reaction Operator E
[#7](-[#6](-[#6](-[#6](-[#6](-[#6@](-[#7](-[#6:8](=[#8:9])-[#6:10])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H]>>[#6:8](=[#8:9])(-[#6:10])-[#8]-[H]
EVODEX.1-C599 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[#7](-[H])-[#6:8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#7](-[H])-[H]>>[H]-[#8]-[#6:8]
EVODEX.1-N756 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[#7](-[H])-[#6:8](=[#8:9])-[#6:10])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#7](-[H])-[H]>>[H]-[#8]-[#6:8](=[#8:9])-[#6:10]
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-R5685
[C:1]([C@:2]([N:3]([C:4](=[O:5])[C:6](=[C:7]([C:8]1:[C:9]([H:26]):[C:10]([H:27]):[C:11]([H:28]):[O:12]:1)[H:29])[H:30])[H:31])([C:13](=[O:14])[N:15]([C@@:16]([C:17]([C:18]([C:19]([C:20]([N:21]([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])([H:38])[H:39])([H:40])[H:41])([C:22](=[O:23])[O:24][H:42])[H:43])[H:44])[H:45])([H:46])([H:47])[H:48].[H][O:25][H:49]>>[C:1]([C@:2]([N:3]([C:4](=[O:5])[C:6](=[C:7]([C:8]1:[C:9]([H:26]):[C:10]([H:27]):[C:11]([H:28]):[O:12]:1)[H:29])[H:30])[H:31])([C:13](=[O:14])[O:25][H:49])[H:45])([H:46])([H:47])[H:48].[H][N:15]([C@@:16]([C:17]([C:18]([C:19]([C:20]([N:21]([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])([H:38])[H:39])([H:40])[H:41])([C:22](=[O:23])[O:24][H:42])[H:43])[H:44]