SMIRKS
[H]O[C:21]([C@:2]([C:1]([H:52])([H:53])[H:54])([N:3]([C:4](=[O:5])[C@:6]([C:7]([H:34])([H:35])[H:36])([N:8]([C:9](=[O:10])[C@:11]([C:12]([H:37])([H:38])[H:39])([N:13]([C:14](=[O:15])[C:16]([C:17]([C:18](=[O:19])[O:20][H:40])([H:41])[H:42])([H:43])[H:44])[H:45])[H:46])[H:47])[H:48])[H:49])[H:51])=[O:22].[H][N:24]([C:25]1:[C:26]([H:55]):[C:27]([H:56]):[C:28]([N+:29](=[O:30])[O-:31]):[C:32]([H:57]):[C:33]:1[H:58])[H:59]>>[C:1]([C@:2]([N:3]([C:4](=[O:5])[C@:6]([C:7]([H:34])([H:35])[H:36])([N:8]([C:9](=[O:10])[C@:11]([C:12]([H:37])([H:38])[H:39])([N:13]([C:14](=[O:15])[C:16]([C:17]([C:18](=[O:19])[O:20][H:40])([H:41])[H:42])([H:43])[H:44])[H:45])[H:46])[H:47])[H:48])[H:49])([C:21](=[O:22])[N:24]([C:25]1:[C:26]([H:55]):[C:27]([H:56]):[C:28]([N+:29](=[O:30])[O-:31]):[C:32]([H:57]):[C:33]:1[H:58])[H:59])[H:51])([H:52])([H:53])[H:54]
Derived Operators
EVODEX.1-F33 - Elemental Balance
| O | -1 |
| H | -2 |
EVODEX.1-M4 - Mass Difference
-18.010559999999998
EVODEX.1-E488 - Reaction Operator E
[#7:121](-[#6@@:120])(-[H:267])-[H].[#8:195]=[#6:196](-[#8]-[H])-[#6:198]>>[#7:121](-[#6@@:120])(-[#6:196](=[#8:195])-[#6:198])-[H:267]
EVODEX.1-N8 - Reaction Operator N
[H]-[#7:1](-[#6:2])-[H:60].[H]-[#8]-[#6:16](-[#6@@:13])=[#8:17]>>[#7:1](-[#6:2])(-[#6:16](-[#6@@:13])=[#8:17])-[H:60]
EVODEX.1-Em33 - Reaction Operator Em
[H]-[#8]-[#6:42](-[#6:40])=[#8:43].[H]-[#7:47]-[#6:46]>>[#6:40]-[#6:42](=[#8:43])-[#7:47]-[#6:46]
EVODEX.1-Nm34 - Reaction Operator Nm
[H]-[#8]-[#6:42](-[#6:40])=[#8:43].[H]-[#7:47]-[#6:46]>>[#6:40]-[#6:42](=[#8:43])-[#7:47]-[#6:46]
Source Full Reactions
EVODEX.1-R5766
[C:1]([C@:2]([N:3]([C:4](=[O:5])[C@:6]([C:7]([H:34])([H:35])[H:36])([N:8]([C:9](=[O:10])[C@:11]([C:12]([H:37])([H:38])[H:39])([N:13]([C:14](=[O:15])[C:16]([C:17]([C:18](=[O:19])[O:20][H:40])([H:41])[H:42])([H:43])[H:44])[H:45])[H:46])[H:47])[H:48])[H:49])([C:21](=[O:22])[O:23][H:50])[H:51])([H:52])([H:53])[H:54].[H][N:24]([C:25]1:[C:26]([H:55]):[C:27]([H:56]):[C:28]([N+:29](=[O:30])[O-:31]):[C:32]([H:57]):[C:33]:1[H:58])[H:59]>>[C:1]([C@:2]([N:3]([C:4](=[O:5])[C@:6]([C:7]([H:34])([H:35])[H:36])([N:8]([C:9](=[O:10])[C@:11]([C:12]([H:37])([H:38])[H:39])([N:13]([C:14](=[O:15])[C:16]([C:17]([C:18](=[O:19])[O:20][H:40])([H:41])[H:42])([H:43])[H:44])[H:45])[H:46])[H:47])[H:48])[H:49])([C:21](=[O:22])[N:24]([C:25]1:[C:26]([H:55]):[C:27]([H:56]):[C:28]([N+:29](=[O:30])[O-:31]):[C:32]([H:57]):[C:33]:1[H:58])[H:59])[H:51])([H:52])([H:53])[H:54].[H][O:23][H:50]