SMIRKS
[H]OC(=O)[C@@]([H])(N([H])[C:7](=[O:8])[C@:9]([C:10]([C:11]1:[C:12]([H:34]):[N:13]:[C:14]([H:35]):[N:15]:1[H:36])([H:37])[H:38])([N:16]([C:17](=[O:18])[O:19][C:20]([C:21]1:[C:22]([H:39]):[C:23]([H:40]):[C:24]([H:41]):[C:25]([H:42]):[C:26]:1[H:43])([H:44])[H:45])[H:46])[H:47])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]>>[H]O[C:7](=[O:8])[C@:9]([C:10]([C:11]1:[C:12]([H:34]):[N:13]:[C:14]([H:35]):[N:15]:1[H:36])([H:37])[H:38])([N:16]([C:17](=[O:18])[O:19][C:20]([C:21]1:[C:22]([H:39]):[C:23]([H:40]):[C:24]([H:41]):[C:25]([H:42]):[C:26]:1[H:43])([H:44])[H:45])[H:46])[H:47]
Derived Operators
EVODEX.1-F252 - Elemental Balance
| O | -1 |
| C | -6 |
| N | -1 |
| H | -11 |
EVODEX.1-M83 - Mass Difference
-113.08413
EVODEX.1-E979 - Reaction Operator E
[#6:2]-[#6:3](=[#8:4])-[#7](-[#6@](-[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H]>>[#6:2]-[#6:3](=[#8:4])-[#8]-[H]
EVODEX.1-C545 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@](-[H])(-[#7](-[H])-[#6:3])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:3]
EVODEX.1-N696 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@](-[H])(-[#7](-[H])-[#6:3](-[#6:2])=[#8:4])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:3](-[#6:2])=[#8:4]
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-R5680
[C:1]([C:2]([C:3]([H:31])([H:32])[H:33])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C@:9]([C:10]([C:11]1:[C:12]([H:34]):[N:13]:[C:14]([H:35]):[N:15]:1[H:36])([H:37])[H:38])([N:16]([C:17](=[O:18])[O:19][C:20]([C:21]1:[C:22]([H:39]):[C:23]([H:40]):[C:24]([H:41]):[C:25]([H:42]):[C:26]:1[H:43])([H:44])[H:45])[H:46])[H:47])[H:48])([C:27](=[O:28])[O:29][H:49])[H:50])([H:51])[H:52])[H:53])([H:54])([H:55])[H:56].[H][O:30][H:57]>>[C:7](=[O:8])([C@:9]([C:10]([C:11]1:[C:12]([H:34]):[N:13]:[C:14]([H:35]):[N:15]:1[H:36])([H:37])[H:38])([N:16]([C:17](=[O:18])[O:19][C:20]([C:21]1:[C:22]([H:39]):[C:23]([H:40]):[C:24]([H:41]):[C:25]([H:42]):[C:26]:1[H:43])([H:44])[H:45])[H:46])[H:47])[O:30][H:57].[H][N:6]([C@@:5]([C:4]([C:2]([C:1]([H:54])([H:55])[H:56])([C:3]([H:31])([H:32])[H:33])[H:53])([H:51])[H:52])([C:27](=[O:28])[O:29][H:49])[H:50])[H:48]