SMIRKS
[H][O:3][P:2](=[O:1])([O:4][H:75])[O:5][P:6](=[O:7])([O:8][H:76])[O:9][P:10](=[O:11])([O:12][H:77])[O:13][H:78]>>[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):C([H]):C(=O):N([H]):C:2=O)O[C@]1([H])C([H])([H])OP(=O)(O[H])[O:3][P:2](=[O:1])([O:4][H:75])[O:5][P:6](=[O:7])([O:8][H:76])[O:9][P:10](=[O:11])([O:12][H:77])[O:13][H:78]
Derived Operators
EVODEX.1-F329 - Elemental Balance
| P | 1 |
| O | 8 |
| C | 9 |
| N | 2 |
| H | 11 |
EVODEX.1-M338 - Mass Difference
306.02533
EVODEX.1-E1116 - Reaction Operator E
[#15:2]-[#8:3]-[H]>>[#15:2]-[#8:3]-[#15](-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6@](-[#7]2:[#6](-[H]):[#6](-[H]):[#6](=[#8]):[#7](-[H]):[#6]:2=[#8])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H])(-[H])-[H])(=[#8])-[#8]-[H]
EVODEX.1-C301 - Reaction Operator C
[H]-[#8:3]>>[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](=[#8]):[#7](-[H]):[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:3]
EVODEX.1-N344 - Reaction Operator N
[H]-[#8:3]-[#15:2]>>[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](=[#8]):[#7](-[H]):[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:3]-[#15:2]
EVODEX.1-Em28 - Reaction Operator Em
[H]-[#8:27]-[#15:25]>>[#8]-[#15](=[#8])(-[#8])-[#8:27]-[#15:25]
EVODEX.1-Nm28 - Reaction Operator Nm
[H]-[#8:27]-[#15:25]>>[#8]-[#15](=[#8])(-[#8])-[#8:27]-[#15:25]
Source Full Reactions
EVODEX.1-R4505
[O:14]=[C:15]1:[C:16]([H:50]):[C:17]([H:51]):[N:18]([C@:19]2([H:52])[O:20][C@@:21]([C:22]([O:23][P:24](=[O:25])([O:26][H:53])[O:27][P:28](=[O:29])([O:30][H:54])[O:31][C@@:32]3([H:55])[O:33][C@@:34]([C:35]([O:36][H:56])([H:57])[H:58])([H:59])[C@:37]([O:38][H:60])([H:61])[C@@:39]([O:40][H:62])([H:63])[C@:41]3([O:42][H:64])[H:65])([H:66])[H:67])([H:68])[C@:43]([O:44][H:69])([H:70])[C@:45]2([O:46][H:71])[H:72]):[C:47](=[O:48]):[N:49]:1[H:73].[H][O:3][P:2](=[O:1])([O:4][H:75])[O:5][P:6](=[O:7])([O:8][H:76])[O:9][P:10](=[O:11])([O:12][H:77])[O:13][H:78]>>[O:1]=[P:2]([O:3][P:24]([O:23][C:22]([C@@:21]1([H:68])[O:20][C@:19]([N:18]2:[C:17]([H:51]):[C:16]([H:50]):[C:15](=[O:14]):[N:49]([H:73]):[C:47]:2=[O:48])([H:52])[C@@:45]([O:46][H:71])([H:72])[C@@:43]1([O:44][H:69])[H:70])([H:66])[H:67])(=[O:25])[O:26][H:53])([O:4][H:75])[O:5][P:6](=[O:7])([O:8][H:76])[O:9][P:10](=[O:11])([O:12][H:77])[O:13][H:78].[H][O:27][P:28](=[O:29])([O:30][H:54])[O:31][C@@:32]1([H:55])[O:33][C@@:34]([C:35]([O:36][H:56])([H:57])[H:58])([H:59])[C@:37]([O:38][H:60])([H:61])[C@@:39]([O:40][H:62])([H:63])[C@:41]1([O:42][H:64])[H:65]