SMIRKS
[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])[C:9](=[O:10])[C@:11]([C:12]([H:32])([H:33])[H:34])([N:13]([C:14](=[O:15])[C@@:16]([N:17]([H:35])[H:36])([C:18]([C:19]1:[C:20]([H:37]):[C:21]([H:38]):[C:22]([H:39]):[C:23]([H:40]):[C:24]:1[H:41])([H:42])[H:43])[H:44])[H:45])[H:46])C([H])([H])[H])C([H])([H])[H]>>[H]O[C:9](=[O:10])[C@:11]([C:12]([H:32])([H:33])[H:34])([N:13]([C:14](=[O:15])[C@@:16]([N:17]([H:35])[H:36])([C:18]([C:19]1:[C:20]([H:37]):[C:21]([H:38]):[C:22]([H:39]):[C:23]([H:40]):[C:24]:1[H:41])([H:42])[H:43])[H:44])[H:45])[H:46]
Derived Operators
EVODEX.1-F483 - Elemental Balance
| C | -6 |
| O | -2 |
| N | -2 |
| H | -10 |
EVODEX.1-M460 - Mass Difference
-142.07430000000002
EVODEX.1-E1299 - Reaction Operator E
[#6](-[#6@](-[#7](-[#6](=[#8])-[#6@](-[#6](-[H])(-[H])-[H])(-[#7](-[#6:9](=[#8:10])-[#6@:11])-[H])-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])(-[H])-[H]>>[#6:9](=[#8:10])(-[#6@:11])-[#8]-[H]
EVODEX.1-C565 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:25])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:25]
EVODEX.1-N718 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:25](-[#6@:5])=[#8:26])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:25](-[#6@:5])=[#8:26]
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-R6100
[C:1]([C@:2]([N:3]([C:4](=[O:5])[C@:6]([C:7]([H:29])([H:30])[H:31])([N:8]([C:9](=[O:10])[C@:11]([C:12]([H:32])([H:33])[H:34])([N:13]([C:14](=[O:15])[C@@:16]([N:17]([H:35])[H:36])([C:18]([C:19]1:[C:20]([H:37]):[C:21]([H:38]):[C:22]([H:39]):[C:23]([H:40]):[C:24]:1[H:41])([H:42])[H:43])[H:44])[H:45])[H:46])[H:47])[H:48])[H:49])([C:25](=[O:26])[O:27][H:50])[H:51])([H:52])([H:53])[H:54].[H][O:28][H:55]>>[C:9](=[O:10])([C@:11]([C:12]([H:32])([H:33])[H:34])([N:13]([C:14](=[O:15])[C@@:16]([N:17]([H:35])[H:36])([C:18]([C:19]1:[C:20]([H:37]):[C:21]([H:38]):[C:22]([H:39]):[C:23]([H:40]):[C:24]:1[H:41])([H:42])[H:43])[H:44])[H:45])[H:46])[O:28][H:55].[H][N:8]([C@:6]([C:4]([N:3]([C@@:2]([C:1]([H:52])([H:53])[H:54])([C:25](=[O:26])[O:27][H:50])[H:51])[H:49])=[O:5])([C:7]([H:29])([H:30])[H:31])[H:48])[H:47]