SMIRKS
[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])[C:17](=[O:18])[C:19]([N:20]([C:21](=[O:22])[C:23]1:[C:24]([H:41]):[C:25]([H:42]):[C:26]([H:43]):[C:27]([H:44]):[C:28]:1[H:45])[H:46])([H:47])[H:48])C([H])([H])C1:C([H]):N:C([H]):N:1[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]>>[H]O[C:17](=[O:18])[C:19]([N:20]([C:21](=[O:22])[C:23]1:[C:24]([H:41]):[C:25]([H:42]):[C:26]([H:43]):[C:27]([H:44]):[C:28]:1[H:45])[H:46])([H:47])[H:48]
Derived Operators
EVODEX.1-F497 - Elemental Balance
| O | -2 |
| C | -12 |
| N | -4 |
| H | -18 |
EVODEX.1-M471 - Mass Difference
-250.14314
EVODEX.1-E1316 - Reaction Operator E
[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[#6@](-[#7](-[#6](=[#8])-[#6@](-[#6](-[#6]1:[#6](-[H]):[#7]:[#6](-[H]):[#7]:1-[H])(-[H])-[H])(-[#7](-[#6:17](=[#8:18])-[#6@:19])-[H])-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H])-[H])(-[H])(-[H])-[H]>>[#6:17](=[#8:18])(-[#6@:19])-[#8]-[H]
EVODEX.1-C604 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:17])-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#7]:[#6](-[H]):[#7]:1-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:17]
EVODEX.1-N761 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:17](=[#8:18])-[#6@:19])-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#7]:[#6](-[H]):[#7]:1-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:17](=[#8:18])-[#6@:19]
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-R5637
[C:1]([C:2]([C:3]([H:33])([H:34])[H:35])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C@:9]([C:10]([C:11]1:[C:12]([H:36]):[N:13]:[C:14]([H:37]):[N:15]:1[H:38])([H:39])[H:40])([N:16]([C:17](=[O:18])[C:19]([N:20]([C:21](=[O:22])[C:23]1:[C:24]([H:41]):[C:25]([H:42]):[C:26]([H:43]):[C:27]([H:44]):[C:28]:1[H:45])[H:46])([H:47])[H:48])[H:49])[H:50])[H:51])([C:29](=[O:30])[O:31][H:52])[H:53])([H:54])[H:55])[H:56])([H:57])([H:58])[H:59].[H][O:32][H:60]>>[C:17](=[O:18])([C:19]([N:20]([C:21](=[O:22])[C:23]1:[C:24]([H:41]):[C:25]([H:42]):[C:26]([H:43]):[C:27]([H:44]):[C:28]:1[H:45])[H:46])([H:47])[H:48])[O:32][H:60].[H][N:16]([C@:9]([C:7]([N:6]([C@@:5]([C:4]([C:2]([C:1]([H:57])([H:58])[H:59])([C:3]([H:33])([H:34])[H:35])[H:56])([H:54])[H:55])([C:29](=[O:30])[O:31][H:52])[H:53])[H:51])=[O:8])([C:10]([C:11]1:[C:12]([H:36]):[N:13]:[C:14]([H:37]):[N:15]:1[H:38])([H:39])[H:40])[H:50])[H:49]