SMIRKS
[H]OP(=O)(O[H])OP(=O)(O[H])O[P:32]([O:31][C:30]([C@@:29]1([H:58])[O:28][C@:27]([N:26]2:[C:22]3:[N:21]:[C:20]([H:49]):[N:19]([H:48]):[C:18](=[O:17]):[C:23]:3:[N:24]:[C:25]:2[H:50])([H:51])[C@@:46]([O:47][H:61])([H:62])[C@@:44]1([O:45][H:59])[H:60])([H:56])[H:57])(=[O:33])[O:34][H:52].[H][O:3][P:2](=[O:1])([O:4][H:64])[O:5][C@@:6]1([H:65])[O:7][C@@:8]([C:9]([O:10][H:66])([H:67])[H:68])([H:69])[C@:11]([O:12][H:70])([H:71])[C@@:13]([O:14][H:72])([H:73])[C@@:15]1([O:16][H:74])[H:75]>>[O:1]=[P:2]([O:3][P:32]([O:31][C:30]([C@@:29]1([H:58])[O:28][C@:27]([N:26]2:[C:22]3:[N:21]:[C:20]([H:49]):[N:19]([H:48]):[C:18](=[O:17]):[C:23]:3:[N:24]:[C:25]:2[H:50])([H:51])[C@@:46]([O:47][H:61])([H:62])[C@@:44]1([O:45][H:59])[H:60])([H:56])[H:57])(=[O:33])[O:34][H:52])([O:4][H:64])[O:5][C@@:6]1([H:65])[O:7][C@@:8]([C:9]([O:10][H:66])([H:67])[H:68])([H:69])[C@:11]([O:12][H:70])([H:71])[C@@:13]([O:14][H:72])([H:73])[C@@:15]1([O:16][H:74])[H:75]
Derived Operators
EVODEX.1-F111 - Elemental Balance
| P | -2 |
| O | -7 |
| H | -4 |
EVODEX.1-M8 - Mass Difference
-177.94322
EVODEX.1-E697 - Reaction Operator E
[#15:15]-[#8:17]-[H].([#8:33]-[#15:34](=[#8:35])(-[#8:36])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H].[#8:47]-[#6@@:46](-[#6@@:31])(-[H:74])-[#6@:48](-[#6@:29])(-[#8:49])-[H:76])>>([#15:15]-[#8:17]-[#15:34](-[#8:33])(=[#8:35])-[#8:36].[#8:49]-[#6@:48](-[#6@:29])(-[H:76])-[#6@@:46](-[#6@@:31])(-[#8:47])-[H:74])
EVODEX.1-C417 - Reaction Operator C
[H]-[#8:27].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:44]>>[#8:27]-[#15:44]
EVODEX.1-N1356 - Reaction Operator N
[H]-[#8:27]-[#15:25].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:44](-[#8:43])(=[#8:45])-[#8:46]>>[#15:25]-[#8:27]-[#15:44](-[#8:43])(=[#8:45])-[#8:46]
EVODEX.1-Em31 - Reaction Operator Em
[H]-[#8:27]-[#15:25].[#15]-[#8]-[#15:44](-[#8:43])(=[#8:45])-[#8:46]>>[#15:25]-[#8:27]-[#15:44](-[#8:43])(=[#8:45])-[#8:46]
EVODEX.1-Nm32 - Reaction Operator Nm
[H]-[#8:27]-[#15:25].[#15]-[#8]-[#15:44](-[#8:43])(=[#8:45])-[#8:46]>>[#15:25]-[#8:27]-[#15:44](-[#8:43])(=[#8:45])-[#8:46]
Source Full Reactions
EVODEX.1-R4383
[O:17]=[C:18]1:[N:19]([H:48]):[C:20]([H:49]):[N:21]:[C:22]2:[C:23]:1:[N:24]:[C:25]([H:50]):[N:26]:2[C@:27]1([H:51])[O:28][C@@:29]([C:30]([O:31][P:32](=[O:33])([O:34][H:52])[O:35][P:36](=[O:37])([O:38][H:53])[O:39][P:40](=[O:41])([O:42][H:54])[O:43][H:55])([H:56])[H:57])([H:58])[C@:44]([O:45][H:59])([H:60])[C@:46]1([O:47][H:61])[H:62].[H][O:3][P:2](=[O:1])([O:4][H:64])[O:5][C@@:6]1([H:65])[O:7][C@@:8]([C:9]([O:10][H:66])([H:67])[H:68])([H:69])[C@:11]([O:12][H:70])([H:71])[C@@:13]([O:14][H:72])([H:73])[C@@:15]1([O:16][H:74])[H:75]>>[O:1]=[P:2]([O:3][P:32]([O:31][C:30]([C@@:29]1([H:58])[O:28][C@:27]([N:26]2:[C:22]3:[N:21]:[C:20]([H:49]):[N:19]([H:48]):[C:18](=[O:17]):[C:23]:3:[N:24]:[C:25]:2[H:50])([H:51])[C@@:46]([O:47][H:61])([H:62])[C@@:44]1([O:45][H:59])[H:60])([H:56])[H:57])(=[O:33])[O:34][H:52])([O:4][H:64])[O:5][C@@:6]1([H:65])[O:7][C@@:8]([C:9]([O:10][H:66])([H:67])[H:68])([H:69])[C@:11]([O:12][H:70])([H:71])[C@@:13]([O:14][H:72])([H:73])[C@@:15]1([O:16][H:74])[H:75].[H][O:35][P:36](=[O:37])([O:38][H:53])[O:39][P:40](=[O:41])([O:42][H:54])[O:43][H:55]