SMIRKS
[H][O:10][P:8]([O:7][C@:6]1([H:54])[C@@:5]([N:4]([C:2]([C:1]([H:63])([H:64])[H:65])=[O:3])[H:62])([H:51])[C@:20]([O:21][H:60])([H:61])[C@@:18]([O:19][H:58])([H:59])[C@:13]([C:14]([N:15]=[N+:16]=[N-:17])([H:55])[H:56])([H:57])[O:12]1)(=[O:9])[O:11][H:53].[H]OP(=O)(O[H])OP(=O)(O[H])O[P:32]([O:31][C:30]([C@@:29]1([H:75])[O:28][C@:27]([N:26]2:[C:25]([H:67]):[C:24]([H:66]):[C:23](=[O:22]):[N:50]([H:80]):[C:48]:2=[O:49])([H:68])[C@@:46]([O:47][H:78])([H:79])[C@@:44]1([O:45][H:76])[H:77])([H:73])[H:74])(=[O:33])[O:34][H:69]>>[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:51])[C@:6]([O:7][P:8](=[O:9])([O:10][P:32]([O:31][C:30]([C@@:29]2([H:75])[O:28][C@:27]([N:26]3:[C:25]([H:67]):[C:24]([H:66]):[C:23](=[O:22]):[N:50]([H:80]):[C:48]:3=[O:49])([H:68])[C@@:46]([O:47][H:78])([H:79])[C@@:44]2([O:45][H:76])[H:77])([H:73])[H:74])(=[O:33])[O:34][H:69])[O:11][H:53])([H:54])[O:12][C@@:13]([C:14]([N:15]=[N+:16]=[N-:17])([H:55])[H:56])([H:57])[C@:18]([O:19][H:58])([H:59])[C@@:20]1([O:21][H:60])[H:61])[H:62])([H:63])([H:64])[H:65]
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-C1104 - Reaction Operator C
([H]-[#8:10].[#6@:20]-[#6@@:18]-[#6@:13]).[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:32]>>([#8:10]-[#15:32].[#6@@:13]-[#6@:18]-[#6@@:20])
EVODEX.1-N1358 - Reaction Operator N
([H]-[#8:10]-[#15:8].[#8:21]-[#6@@:20](-[#6@@:5])(-[H:61])-[#6@@:18](-[#8:19])(-[H:59])-[#6@:13](-[#6:14])(-[H:57])-[#8:12]).[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:32](-[#8:31])(=[#8:33])-[#8:34]>>([#15:8]-[#8:10]-[#15:32](-[#8:31])(=[#8:33])-[#8:34].[#8:12]-[#6@@:13](-[#6:14])(-[H:57])-[#6@:18](-[#8:19])(-[H:59])-[#6@@:20](-[#6@@:5])(-[#8:21])-[H:61])
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-R4402
[H][O:10][P:8]([O:7][C@:6]1([H:54])[C@@:5]([N:4]([C:2]([C:1]([H:63])([H:64])[H:65])=[O:3])[H:62])([H:51])[C@:20]([O:21][H:60])([H:61])[C@@:18]([O:19][H:58])([H:59])[C@:13]([C:14]([N:15]=[N+:16]=[N-:17])([H:55])[H:56])([H:57])[O:12]1)(=[O:9])[O:11][H:53].[O:22]=[C:23]1:[C:24]([H:66]):[C:25]([H:67]):[N:26]([C@:27]2([H:68])[O:28][C@@:29]([C:30]([O:31][P:32](=[O:33])([O:34][H:69])[O:35][P:36](=[O:37])([O:38][H:70])[O:39][P:40](=[O:41])([O:42][H:71])[O:43][H:72])([H:73])[H:74])([H:75])[C@:44]([O:45][H:76])([H:77])[C@:46]2([O:47][H:78])[H:79]):[C:48](=[O:49]):[N:50]:1[H:80]>>[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:51])[C@:6]([O:7][P:8](=[O:9])([O:10][P:32]([O:31][C:30]([C@@:29]2([H:75])[O:28][C@:27]([N:26]3:[C:25]([H:67]):[C:24]([H:66]):[C:23](=[O:22]):[N:50]([H:80]):[C:48]:3=[O:49])([H:68])[C@@:46]([O:47][H:78])([H:79])[C@@:44]2([O:45][H:76])[H:77])([H:73])[H:74])(=[O:33])[O:34][H:69])[O:11][H:53])([H:54])[O:12][C@@:13]([C:14]([N:15]=[N+:16]=[N-:17])([H:55])[H:56])([H:57])[C@:18]([O:19][H:58])([H:59])[C@@:20]1([O:21][H:60])[H:61])[H:62])([H:63])([H:64])[H:65].[H][O:35][P:36](=[O:37])([O:38][H:70])[O:39][P:40](=[O:41])([O:42][H:71])[O:43][H:72]