SMIRKS
[N:1]([C@@:2]1([H:46])[C@:3]([O:4][P:5](=[O:6])([O:7][H:47])[O:8][P:9](=[O:10])([O:11][H:48])[O:12][C:13]([C@@:14]2([H:49])[O:15][C@:16]([N:17]3:[C:18]([H:50]):[C:19]([H:51]):[C:20](=[O:21]):[N:22]([H:52]):[C:23]:3=[O:24])([H:53])[C@@:25]([O:26][H:54])([H:55])[C@@:27]2([O:28][H:56])[H:57])([H:58])[H:59])([H:60])[O:29][C@@:30]([C:31]([O:32][H:61])([H:62])[H:63])([H:64])[C@:33]([O:34][H:65])([H:66])[C@@:35]1([O:36][H:67])[H:68])([H:69])[H:70]>>[H][O:8][P:5]([O:4][C@:3]1([H:60])[C@@:2]([N:1]([H:69])[H:70])([H:46])[C@:35]([O:36][H:67])([H:68])[C@@:33]([O:34][H:65])([H:66])[C@:30]([C:31]([O:32][H:61])([H:62])[H:63])([H:64])[O:29]1)(=[O:6])[O:7][H:47].[H]OP(=O)(O[H])OP(=O)(O[H])O[P:9](=[O:10])([O:11][H:48])[O:12][C:13]([C@@:14]1([H:49])[O:15][C@:16]([N:17]2:[C:18]([H:50]):[C:19]([H:51]):[C:20](=[O:21]):[N:22]([H:52]):[C:23]:2=[O:24])([H:53])[C@@:25]([O:26][H:54])([H:55])[C@@:27]1([O:28][H:56])[H:57])([H:58])[H:59]
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-C1342 - Reaction Operator C
([#8:8]-[#15:9].[#6@@:30]-[#6@:33]-[#6@@:35])>>([H]-[#8:8].[#6@:35]-[#6@@:33]-[#6@:30]).[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:9]
EVODEX.1-N1700 - Reaction Operator N
([#15:5]-[#8:8]-[#15:9](=[#8:10])(-[#8:11])-[#8:12].[#8:29]-[#6@@:30](-[#6:31])(-[H:64])-[#6@:33](-[#8:34])(-[H:66])-[#6@@:35](-[#6@@:2])(-[#8:36])-[H:68])>>([H]-[#8:8]-[#15:5].[#8:36]-[#6@@:35](-[#6@@:2])(-[H:68])-[#6@@:33](-[#8:34])(-[H:66])-[#6@:30](-[#6:31])(-[H:64])-[#8:29]).[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:9](=[#8:10])(-[#8:11])-[#8:12]
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-R4404
[N:1]([C@@:2]1([H:46])[C@:3]([O:4][P:5](=[O:6])([O:7][H:47])[O:8][P:9](=[O:10])([O:11][H:48])[O:12][C:13]([C@@:14]2([H:49])[O:15][C@:16]([N:17]3:[C:18]([H:50]):[C:19]([H:51]):[C:20](=[O:21]):[N:22]([H:52]):[C:23]:3=[O:24])([H:53])[C@@:25]([O:26][H:54])([H:55])[C@@:27]2([O:28][H:56])[H:57])([H:58])[H:59])([H:60])[O:29][C@@:30]([C:31]([O:32][H:61])([H:62])[H:63])([H:64])[C@:33]([O:34][H:65])([H:66])[C@@:35]1([O:36][H:67])[H:68])([H:69])[H:70].[H][O:39][P:38](=[O:37])([O:40][H:72])[O:41][P:42](=[O:43])([O:44][H:73])[O:45][H:74]>>[H][O:8][P:5]([O:4][C@:3]1([H:60])[C@@:2]([N:1]([H:69])[H:70])([H:46])[C@:35]([O:36][H:67])([H:68])[C@@:33]([O:34][H:65])([H:66])[C@:30]([C:31]([O:32][H:61])([H:62])[H:63])([H:64])[O:29]1)(=[O:6])[O:7][H:47].[P:9](=[O:10])([O:11][H:48])([O:12][C:13]([C@@:14]1([H:49])[O:15][C@:16]([N:17]2:[C:18]([H:50]):[C:19]([H:51]):[C:20](=[O:21]):[N:22]([H:52]):[C:23]:2=[O:24])([H:53])[C@@:25]([O:26][H:54])([H:55])[C@@:27]1([O:28][H:56])[H:57])([H:58])[H:59])[O:39][P:38](=[O:37])([O:40][H:72])[O:41][P:42](=[O:43])([O:44][H:73])[O:45][H:74]