SMIRKS
[N:1]([C:2]1:[N:3]:[C:4]([H:54]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:55]):[N:10]:2[C@:11]1([H:56])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:57])[O:19][P:20](=[O:21])([O:22][H:58])[O:23][C:24]([C@@:25]2([H:59])[O:26][C@:27]([N+:28]3:[C:29]([H:60]):[C:30]([H:61]):[C:31]([H:62]):[C:32]([C:33](=[O:34])[O:35][H:63]):[C:36]:3[H:64])([H:65])[C@@:37]([O:38][H:66])([H:67])[C@@:39]2([O:40][H:68])[H:69])([H:70])[H:71])([H:72])[H:73])([H:74])[C@:41]([O:42][H:75])([H:76])[C@:43]1([O:44][H:77])[H:78])([H:79])[H:80]>>[H]OP(=O)(O[H])OP(=O)(O[H])O[P:16]([O:15][C:14]([C@@:13]1([H:74])[O:12][C@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:54]):[N:3]:[C:2]([N:1]([H:79])[H:80]):[C:7]:3:[N:8]:[C:9]:2[H:55])([H:56])[C@@:43]([O:44][H:77])([H:78])[C@@:41]1([O:42][H:75])[H:76])([H:72])[H:73])(=[O:17])[O:18][H:57].[H][O:19][P:20](=[O:21])([O:22][H:58])[O:23][C:24]([C@@:25]1([H:59])[O:26][C@:27]([N+:28]2:[C:29]([H:60]):[C:30]([H:61]):[C:31]([H:62]):[C:32]([C:33](=[O:34])[O:35][H:63]):[C:36]:2[H:64])([H:65])[C@@:37]([O:38][H:66])([H:67])[C@@:39]1([O:40][H:68])[H:69])([H:70])[H:71]
Derived Operators
EVODEX.1-F131 - Elemental Balance
| P | 2 |
| O | 7 |
| H | 4 |
EVODEX.1-M65 - Mass Difference
177.94322
EVODEX.1-E771 - Reaction Operator E
[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:19]-[#15:20]>>[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H].[#8:19](-[#15:20])-[H]
EVODEX.1-C888 - Reaction Operator C
([#15:11]-[#8:14].[#6@:36]-[#6@:38])>>([H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:11].[#6@@:38]-[#6@@:36]).[H]-[#8:14]
EVODEX.1-N1350 - Reaction Operator N
([#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:19]-[#15:20].[#8:42]-[#6@@:41](-[#6@@:13])(-[H:76])-[#6@:43](-[#6@:11])(-[#8:44])-[H:78])>>([H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:16](-[#8:15])(=[#8:17])-[#8:18].[#8:44]-[#6@:43](-[#6@:11])(-[H:78])-[#6@@:41](-[#6@@:13])(-[#8:42])-[H:76]).[H]-[#8:19]-[#15:20]
EVODEX.1-Em36 - Reaction Operator Em
[#8:7]-[#15:8](=[#8:9])(-[#8:10])-[#8:11]-[#15:12]>>[#15]-[#8]-[#15:8](-[#8:7])(=[#8:9])-[#8:10].[H]-[#8:11]-[#15:12]
EVODEX.1-Nm39 - Reaction Operator Nm
[#8:7]-[#15:8](=[#8:9])(-[#8:10])-[#8:11]-[#15:12]>>[#15]-[#8]-[#15:8](-[#8:7])(=[#8:9])-[#8:10].[H]-[#8:11]-[#15:12]
Source Full Reactions
EVODEX.1-R4362
[N:1]([C:2]1:[N:3]:[C:4]([H:54]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:55]):[N:10]:2[C@:11]1([H:56])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:57])[O:19][P:20](=[O:21])([O:22][H:58])[O:23][C:24]([C@@:25]2([H:59])[O:26][C@:27]([N+:28]3:[C:29]([H:60]):[C:30]([H:61]):[C:31]([H:62]):[C:32]([C:33](=[O:34])[O:35][H:63]):[C:36]:3[H:64])([H:65])[C@@:37]([O:38][H:66])([H:67])[C@@:39]2([O:40][H:68])[H:69])([H:70])[H:71])([H:72])[H:73])([H:74])[C@:41]([O:42][H:75])([H:76])[C@:43]1([O:44][H:77])[H:78])([H:79])[H:80].[H][O:47][P:46](=[O:45])([O:48][H:82])[O:49][P:50](=[O:51])([O:52][H:83])[O:53][H:84]>>[N:1]([C:2]1:[N:3]:[C:4]([H:54]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:55]):[N:10]:2[C@:11]1([H:56])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:57])[O:47][P:46](=[O:45])([O:48][H:82])[O:49][P:50](=[O:51])([O:52][H:83])[O:53][H:84])([H:72])[H:73])([H:74])[C@:41]([O:42][H:75])([H:76])[C@:43]1([O:44][H:77])[H:78])([H:79])[H:80].[H][O:19][P:20](=[O:21])([O:22][H:58])[O:23][C:24]([C@@:25]1([H:59])[O:26][C@:27]([N+:28]2:[C:29]([H:60]):[C:30]([H:61]):[C:31]([H:62]):[C:32]([C:33](=[O:34])[O:35][H:63]):[C:36]:2[H:64])([H:65])[C@@:37]([O:38][H:66])([H:67])[C@@:39]1([O:40][H:68])[H:69])([H:70])[H:71]