SMIRKS
[H]OC(=O)[C@@]([H])(N([H])[C:9](=[O:10])[C@:11]1([H:29])[C:12]([H:30])([H:31])[C:13]([H:32])([H:33])[C:14]([H:34])([H:35])[N:15]1[C:16](=[O:17])[O:18][C:19]1:[C:20]([H:36]):[C:21]([H:37]):[C:22]([H:38]):[C:23]([H:39]):[C:24]:1[H:40])C([H])([H])O[H]>>[H]O[C:9](=[O:10])[C@:11]1([H:29])[C:12]([H:30])([H:31])[C:13]([H:32])([H:33])[C:14]([H:34])([H:35])[N:15]1[C:16](=[O:17])[O:18][C:19]1:[C:20]([H:36]):[C:21]([H:37]):[C:22]([H:38]):[C:23]([H:39]):[C:24]:1[H:40]
Derived Operators
EVODEX.1-F264 - Elemental Balance
| O | -2 |
| C | -3 |
| N | -1 |
| H | -5 |
EVODEX.1-M77 - Mass Difference
-87.03205000000001
EVODEX.1-E1001 - Reaction Operator E
[#6:42](-[#6@:40])(=[#8:43])-[#7](-[#6@@](-[#6](-[#8]-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H]>>[#6:42](-[#6@:40])(=[#8:43])-[#8]-[H]
EVODEX.1-C549 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:42])-[#6](-[H])(-[H])-[#8]-[H]>>[H]-[#8]-[#6:42]
EVODEX.1-N701 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:42](-[#6@:40])=[#8:43])-[#6](-[H])(-[H])-[#8]-[H]>>[H]-[#8]-[#6:42](-[#6@:40])=[#8:43]
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-R5663
[O:2]=[C:3]([O:4][H:25])[C@:5]([C:6]([O:7][H:26])([H:27])[H:28])([N:8]([C:9](=[O:10])[C@:11]1([H:29])[C:12]([H:30])([H:31])[C:13]([H:32])([H:33])[C:14]([H:34])([H:35])[N:15]1[C:16](=[O:17])[O:18][C:19]1:[C:20]([H:36]):[C:21]([H:37]):[C:22]([H:38]):[C:23]([H:39]):[C:24]:1[H:40])[H:41])[H:42].[H][O:1][H:43]>>[H][N:8]([C@:5]([C:3](=[O:2])[O:4][H:25])([C:6]([O:7][H:26])([H:27])[H:28])[H:42])[H:41].[O:1]([C:9](=[O:10])[C@:11]1([H:29])[C:12]([H:30])([H:31])[C:13]([H:32])([H:33])[C:14]([H:34])([H:35])[N:15]1[C:16](=[O:17])[O:18][C:19]1:[C:20]([H:36]):[C:21]([H:37]):[C:22]([H:38]):[C:23]([H:39]):[C:24]:1[H:40])[H:43]