SMIRKS
[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])[C:18]([C@:5]([C:4]([C:2]([C:1]([H:61])([H:62])[H:63])([C:3]([H:32])([H:33])[H:34])[H:60])([H:58])[H:59])([N:6]([C:7](=[O:8])[C@@:9]([N:10]([H:35])[H:36])([C:11]([C:12]1:[C:13]([H:37]):[C:14]([H:38]):[C:15]([H:39]):[C:16]([H:40]):[C:17]:1[H:41])([H:42])[H:43])[H:44])[H:45])[H:57])=[O:19])C([H])([H])[H])C([H])([H])[H]>>[H]O[C:18]([C@:5]([C:4]([C:2]([C:1]([H:61])([H:62])[H:63])([C:3]([H:32])([H:33])[H:34])[H:60])([H:58])[H:59])([N:6]([C:7](=[O:8])[C@@:9]([N:10]([H:35])[H:36])([C:11]([C:12]1:[C:13]([H:37]):[C:14]([H:38]):[C:15]([H:39]):[C:16]([H:40]):[C:17]:1[H:41])([H:42])[H:43])[H:44])[H:45])[H:57])=[O:19]
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-R6102
[C:1]([C:2]([C:3]([H:32])([H:33])[H:34])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C@@:9]([N:10]([H:35])[H:36])([C:11]([C:12]1:[C:13]([H:37]):[C:14]([H:38]):[C:15]([H:39]):[C:16]([H:40]):[C:17]:1[H:41])([H:42])[H:43])[H:44])[H:45])([C:18](=[O:19])[N:20]([C@@:21]([C:22]([H:46])([H:47])[H:48])([C:23](=[O:24])[N:25]([C@@:26]([C:27]([H:49])([H:50])[H:51])([C:28](=[O:29])[O:30][H:52])[H:53])[H:54])[H:55])[H:56])[H:57])([H:58])[H:59])[H:60])([H:61])([H:62])[H:63].[H][O:31][H:64]>>[C:1]([C:2]([C:3]([H:32])([H:33])[H:34])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C@@:9]([N:10]([H:35])[H:36])([C:11]([C:12]1:[C:13]([H:37]):[C:14]([H:38]):[C:15]([H:39]):[C:16]([H:40]):[C:17]:1[H:41])([H:42])[H:43])[H:44])[H:45])([C:18](=[O:19])[O:31][H:64])[H:57])([H:58])[H:59])[H:60])([H:61])([H:62])[H:63].[H][N:20]([C@@:21]([C:22]([H:46])([H:47])[H:48])([C:23](=[O:24])[N:25]([C@@:26]([C:27]([H:49])([H:50])[H:51])([C:28](=[O:29])[O:30][H:52])[H:53])[H:54])[H:55])[H:56]