SMIRKS
[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])OP(=O)(O[H])OP(=O)(O[H])[O:23][P:24](=[O:25])([O:26][H:66])[O:27][C:28]1:[C:29]([N+:30](=[O:31])[O:32][H:67]):[C:33]([H:68]):[C:34]([N+:35](=[O:36])[O:37][H:69]):[C:38]([H:70]):[C:39]:1[N+:40](=[O:41])[O:42][H:71]>>[H][O:23][P:24](=[O:25])([O:26][H:66])[O:27][C:28]1:[C:29]([N+:30](=[O:31])[O:32][H:67]):[C:33]([H:68]):[C:34]([N+:35](=[O:36])[O:37][H:69]):[C:38]([H:70]):[C:39]:1[N+:40](=[O:41])[O:42][H:71]
Derived Operators
EVODEX.1-F110 - Elemental Balance
| P | -2 |
| O | -9 |
| C | -10 |
| N | -5 |
| H | -13 |
EVODEX.1-M63 - Mass Difference
-409.01899
EVODEX.1-E694 - Reaction Operator E
[#7](-[#6]1:[#7]:[#6](-[H]):[#7]:[#6]2:[#6]:1:[#7]:[#6](-[H]):[#7]:2-[#6]1(-[H])-[#8]-[#6](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:23]-[#15:24])(-[H])-[H])(-[H])-[#6](-[#8]-[H])(-[H])-[#6]-1(-[#8]-[H])-[H])(-[H])-[H]>>[#8:23](-[#15:24])-[H]
EVODEX.1-C470 - Reaction Operator C
[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])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:13]>>[H]-[#8:13]
EVODEX.1-N573 - Reaction Operator N
[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])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:13]-[#15:10]>>[H]-[#8:13]-[#15:10]
EVODEX.1-Em35 - Reaction Operator Em
[#8]-[#15](=[#8])(-[#8])-[#8:50]-[#15:51]>>[H]-[#8:50]-[#15:51]
EVODEX.1-Nm37 - Reaction Operator Nm
[#8]-[#15](=[#8])(-[#8])-[#8:50]-[#15:51]>>[H]-[#8:50]-[#15:51]
Source Full Reactions
EVODEX.1-R3969
[N:1]([C:2]1:[N:3]:[C:4]([H:61]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:62]):[N:10]:2[C@:11]1([H:63])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:64])[O:19][P:20](=[O:21])([O:22][H:65])[O:23][P:24](=[O:25])([O:26][H:66])[O:27][C:28]2:[C:29]([N+:30](=[O:31])[O:32][H:67]):[C:33]([H:68]):[C:34]([N+:35](=[O:36])[O:37][H:69]):[C:38]([H:70]):[C:39]:2[N+:40](=[O:41])[O:42][H:71])([H:72])[H:73])([H:74])[C@:43]([O:44][H:75])([H:76])[C@:45]1([O:46][H:77])[H:78])([H:79])[H:80].[H][O:50][C:49]([C:48](=[O:47])[C@:51]([O:52][H:84])([C@:53]([O:54][H:85])([C:55]([O:56][P:57](=[O:58])([O:59][H:86])[O:60][H:87])([H:88])[H:89])[H:90])[H:91])([H:82])[H:83]>>[N:1]([C:2]1:[N:3]:[C:4]([H:61]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:62]):[N:10]:2[C@:11]1([H:63])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:64])[O:19][P:20](=[O:21])([O:22][H:65])[O:50][C:49]([C:48](=[O:47])[C@:51]([O:52][H:84])([C@:53]([O:54][H:85])([C:55]([O:56][P:57](=[O:58])([O:59][H:86])[O:60][H:87])([H:88])[H:89])[H:90])[H:91])([H:82])[H:83])([H:72])[H:73])([H:74])[C@:43]([O:44][H:75])([H:76])[C@:45]1([O:46][H:77])[H:78])([H:79])[H:80].[H][O:23][P:24](=[O:25])([O:26][H:66])[O:27][C:28]1:[C:29]([N+:30](=[O:31])[O:32][H:67]):[C:33]([H:68]):[C:34]([N+:35](=[O:36])[O:37][H:69]):[C:38]([H:70]):[C:39]:1[N+:40](=[O:41])[O:42][H:71]