SMIRKS
[H]N=C(N([H])[H])N([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C(=O)[N:30]([C:31]1:[C:32]([H:61]):[C:33]([H:62]):[C:34]([N+:35](=[O:36])[O-:37]):[C:38]([H:63]):[C:39]:1[H:64])[H:65])N([H])C(=O)[C@@]1([H])N(C(=O)[C@]([H])(N([H])[H])C([H])([H])C2:C([H]):C([H]):C([H]):C([H]):C:2[H])C([H])([H])C([H])([H])C1([H])[H]>>[H][N:30]([C:31]1:[C:32]([H:61]):[C:33]([H:62]):[C:34]([N+:35](=[O:36])[O-:37]):[C:38]([H:63]):[C:39]:1[H:64])[H:65]
Derived Operators
EVODEX.1-F501 - Elemental Balance
| O | -3 |
| C | -20 |
| N | -6 |
| H | -28 |
EVODEX.1-M474 - Mass Difference
-400.22254
EVODEX.1-E1319 - Reaction Operator E
[#6:13]-[#7:14](-[#6](=[#8])-[#6@](-[#6](-[#6](-[#6](-[#7](-[#6](=[#7]-[H])-[#7](-[H])-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[#7](-[#6](=[#8])-[#6@]1(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#7]-1-[#6](=[#8])-[#6@](-[#7](-[H])-[H])(-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H])-[H])-[H])-[H])-[H:84]>>[#6:13]-[#7:14](-[H:84])-[H]
EVODEX.1-C638 - Reaction Operator C
[H]-[#7]=[#6](-[#7](-[H])-[H])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:14])-[#7](-[H])-[#6](=[#8])-[#6@@]1(-[H])-[#7](-[#6](=[#8])-[#6@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6]2:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:2-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6]-1(-[H])-[H]>>[H]-[#7:14]
EVODEX.1-N793 - Reaction Operator N
[H]-[#7]=[#6](-[#7](-[H])-[H])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:14](-[#6:13])-[H:84])-[#7](-[H])-[#6](=[#8])-[#6@@]1(-[H])-[#7](-[#6](=[#8])-[#6@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6]2:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:2-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6]-1(-[H])-[H]>>[H]-[#7:14](-[#6:13])-[H:84]
Source Full Reactions
EVODEX.1-R5882
[N:1](=[C:2]([N:3]([H:41])[H:42])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([C:10](=[O:11])[C@:12]1([H:43])[C:13]([H:44])([H:45])[C:14]([H:46])([H:47])[C:15]([H:48])([H:49])[N:16]1[C:17](=[O:18])[C@:19]([N:20]([H:50])[H:51])([C:21]([C:22]1:[C:23]([H:52]):[C:24]([H:53]):[C:25]([H:54]):[C:26]([H:55]):[C:27]:1[H:56])([H:57])[H:58])[H:59])[H:60])([C:28](=[O:29])[N:30]([C:31]1:[C:32]([H:61]):[C:33]([H:62]):[C:34]([N+:35](=[O:36])[O-:37]):[C:38]([H:63]):[C:39]:1[H:64])[H:65])[H:66])([H:67])[H:68])([H:69])[H:70])([H:71])[H:72])[H:73])[H:74].[H][O:40][H:75]>>[H][N:30]([C:31]1:[C:32]([H:61]):[C:33]([H:62]):[C:34]([N+:35](=[O:36])[O-:37]):[C:38]([H:63]):[C:39]:1[H:64])[H:65].[N:1](=[C:2]([N:3]([H:41])[H:42])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([C:10](=[O:11])[C@:12]1([H:43])[C:13]([H:44])([H:45])[C:14]([H:46])([H:47])[C:15]([H:48])([H:49])[N:16]1[C:17](=[O:18])[C@:19]([N:20]([H:50])[H:51])([C:21]([C:22]1:[C:23]([H:52]):[C:24]([H:53]):[C:25]([H:54]):[C:26]([H:55]):[C:27]:1[H:56])([H:57])[H:58])[H:59])[H:60])([C:28](=[O:29])[O:40][H:75])[H:66])([H:67])[H:68])([H:69])[H:70])([H:71])[H:72])[H:73])[H:74]