SMIRKS
[H]O[C:31]([C@:2]([C:1]([H:72])([H:73])[H:74])([N:3]([C:4](=[O:5])[C@:6]([C:7]([H:44])([H:45])[H:46])([N:8]([C:9](=[O:10])[C@:11]([C:12]([H:47])([H:48])[H:49])([N:13]([C:14](=[O:15])[C@:16]([C:17]([H:50])([H:51])[H:52])([N:18]([C:19](=[O:20])[C@:21]([C:22]([H:53])([H:54])[H:55])([N:23]([C:24](=[O:25])[C:26]([C:27]([C:28](=[O:29])[O:30][H:56])([H:57])[H:58])([H:59])[H:60])[H:61])[H:62])[H:63])[H:64])[H:65])[H:66])[H:67])[H:68])[H:69])[H:71])=[O:32].[H][N:34]([C:35]1:[C:36]([H:75]):[C:37]([H:76]):[C:38]([N+:39](=[O:40])[O-:41]):[C:42]([H:77]):[C:43]:1[H:78])[H:79]>>[C:1]([C:2]([N:3]([C:4](=[O:5])[C@:6]([C:7]([H:44])([H:45])[H:46])([N:8]([C:9](=[O:10])[C@:11]([C:12]([H:47])([H:48])[H:49])([N:13]([C:14](=[O:15])[C@:16]([C:17]([H:50])([H:51])[H:52])([N:18]([C:19](=[O:20])[C@:21]([C:22]([H:53])([H:54])[H:55])([N:23]([C:24](=[O:25])[C:26]([C:27]([C:28](=[O:29])[O:30][H:56])([H:57])[H:58])([H:59])[H:60])[H:61])[H:62])[H:63])[H:64])[H:65])[H:66])[H:67])[H:68])[H:69])([C:31](=[O:32])[N:34]([C:35]1:[C:36]([H:75]):[C:37]([H:76]):[C:38]([N+:39](=[O:40])[O-:41]):[C:42]([H:77]):[C:43]:1[H:78])[H:79])[H:71])([H:72])([H:73])[H:74]
Derived Operators
EVODEX.1-F33 - Elemental Balance
| O | -1 |
| H | -2 |
EVODEX.1-M4 - Mass Difference
-18.010559999999998
EVODEX.1-E499 - Reaction Operator E
[#7:1](-[#6@@:2])(-[H:71])-[H].[#7:8]-[#6@:9](-[#6:10](=[#8:11])-[#8]-[H])(-[#6@:13])-[H:79]>>[#7:1](-[#6@@:2])(-[#6:10](-[#6@@:9](-[#7:8])(-[#6@:13])-[H:79])=[#8:11])-[H:71]
EVODEX.1-N1391 - Reaction Operator N
[H]-[#8]-[#6:31](-[#6@:2](-[#6:1])(-[#7:3])-[H:71])=[#8:32].[H]-[#7:34](-[#6:35])-[H:79]>>[#6:1]-[#6:2](-[#7:3])(-[#6:31](=[#8:32])-[#7:34](-[#6:35])-[H:79])-[H:71]
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-R5896
[C:1]([C@:2]([N:3]([C:4](=[O:5])[C@:6]([C:7]([H:44])([H:45])[H:46])([N:8]([C:9](=[O:10])[C@:11]([C:12]([H:47])([H:48])[H:49])([N:13]([C:14](=[O:15])[C@:16]([C:17]([H:50])([H:51])[H:52])([N:18]([C:19](=[O:20])[C@:21]([C:22]([H:53])([H:54])[H:55])([N:23]([C:24](=[O:25])[C:26]([C:27]([C:28](=[O:29])[O:30][H:56])([H:57])[H:58])([H:59])[H:60])[H:61])[H:62])[H:63])[H:64])[H:65])[H:66])[H:67])[H:68])[H:69])([C:31](=[O:32])[O:33][H:70])[H:71])([H:72])([H:73])[H:74].[H][N:34]([C:35]1:[C:36]([H:75]):[C:37]([H:76]):[C:38]([N+:39](=[O:40])[O-:41]):[C:42]([H:77]):[C:43]:1[H:78])[H:79]>>[C:1]([C:2]([N:3]([C:4](=[O:5])[C@:6]([C:7]([H:44])([H:45])[H:46])([N:8]([C:9](=[O:10])[C@:11]([C:12]([H:47])([H:48])[H:49])([N:13]([C:14](=[O:15])[C@:16]([C:17]([H:50])([H:51])[H:52])([N:18]([C:19](=[O:20])[C@:21]([C:22]([H:53])([H:54])[H:55])([N:23]([C:24](=[O:25])[C:26]([C:27]([C:28](=[O:29])[O:30][H:56])([H:57])[H:58])([H:59])[H:60])[H:61])[H:62])[H:63])[H:64])[H:65])[H:66])[H:67])[H:68])[H:69])([C:31](=[O:32])[N:34]([C:35]1:[C:36]([H:75]):[C:37]([H:76]):[C:38]([N+:39](=[O:40])[O-:41]):[C:42]([H:77]):[C:43]:1[H:78])[H:79])[H:71])([H:72])([H:73])[H:74].[H][O:33][H:70]