SMIRKS
[N-:34]=[N+:35]=[N:36][C:37]([C:38](=[C:39]([C:40]([S:41][C:42]([C:43]([C@:44]([N:45]([H:49])[H:50])([C:46](=[O:47])[O:48][H:51])[H:52])([H:53])[H:54])([H:55])[H:56])([H:57])[H:58])[H:59])[H:60])([H:61])[H:62].[H][O:32][H:79]>>[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)O[C@]1([H])C([H])([H])[S+:41]([C:40]([C:39](=[C:38]([C:37]([N:36]=[N+:35]=[N-:34])([H:61])[H:62])[H:60])[H:59])([H:57])[H:58])[C:42]([C:43]([C@:44]([N:45]([H:49])[H:50])([C:46](=[O:47])[O:48][H:51])[H:52])([H:53])[H:54])([H:55])[H:56].[H]OP(=O)(O[H])[O:32][H:79]
Derived Operators
EVODEX.1-F219 - Elemental Balance
| P | 1 |
| C | 10 |
| O | 6 |
| N | 5 |
| H | 13 |
EVODEX.1-M287 - Mass Difference
330.06049
EVODEX.1-E928 - Reaction Operator E
[#6:40]-[#16:41]-[#6:42].[#8:32](-[H:79])-[H]>>[#7](-[#6]1:[#7]:[#6](-[H]):[#7]:[#6]2:[#6]:1:[#7]:[#6](-[H]):[#7]:2-[#6@]1(-[H])-[#8]-[#6@@](-[#6](-[#16:41](-[#6:40])-[#6:42])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H].[#8](-[#15](=[#8])(-[#8]-[H])-[#8:32]-[H:79])-[H]
EVODEX.1-C416 - Reaction Operator C
[#16:41].[H]-[#8:32]>>[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#16:41].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:32]
EVODEX.1-N497 - Reaction Operator N
[#6:40]-[#16:41]-[#6:42].[H]-[#8:32]-[H:79]>>[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#16:41](-[#6:40])-[#6:42].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:32]-[H:79]
EVODEX.1-Em530 - Reaction Operator Em
[#6:40]-[#16:41]-[#6:42].[H]-[#8:32]>>[#6]-[#6](-[H])(-[H])-[#16:41](-[#6:40])-[#6:42].[#8]-[#15](=[#8])(-[#8])-[#8:32]
EVODEX.1-Nm481 - Reaction Operator Nm
[#6:40]-[#16:41]-[#6:42].[H]-[#8:32]>>[#6]-[#6](-[H])(-[H])-[#16:41](-[#6:40])-[#6:42].[#8]-[#15](=[#8])(-[#8])-[#8:32]
Source Full Reactions
EVODEX.1-R3498
[HH].[N-:34]=[N+:35]=[N:36][C:37]([C:38](=[C:39]([C:40]([S:41][C:42]([C:43]([C@:44]([N:45]([H:49])[H:50])([C:46](=[O:47])[O:48][H:51])[H:52])([H:53])[H:54])([H:55])[H:56])([H:57])[H:58])[H:59])[H:60])([H:61])[H:62].[N:1]([C:2]1:[N:3]:[C:4]([H:63]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:64]):[N:10]:2[C@:11]1([H:65])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:66])[O:19][P:20](=[O:21])([O:22][H:67])[O:23][P:24](=[O:25])([O:26][H:68])[O:27][H:69])([H:70])[H:71])([H:72])[C@:28]([O:29][H:73])([H:74])[C@:30]1([O:31][H:75])[H:76])([H:77])[H:78].[H][O:32][H:79]>>[N:1]([C:2]1:[N:3]:[C:4]([H:63]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:64]):[N:10]:2[C@:11]1([H:65])[O:12][C@@:13]([C:14]([S+:41]([C:40]([C:39](=[C:38]([C:37]([N:36]=[N+:35]=[N-:34])([H:61])[H:62])[H:60])[H:59])([H:57])[H:58])[C:42]([C:43]([C@:44]([N:45]([H:49])[H:50])([C:46](=[O:47])[O:48][H:51])[H:52])([H:53])[H:54])([H:55])[H:56])([H:70])[H:71])([H:72])[C@:28]([O:29][H:73])([H:74])[C@:30]1([O:31][H:75])[H:76])([H:77])[H:78].[H][O:15][P:16](=[O:17])([O:18][H:66])[O:32][H:79].[H][O:19][P:20](=[O:21])([O:22][H:67])[O:23][P:24](=[O:25])([O:26][H:68])[O:27][H:69]