SMIRKS
[H][O:7][P:5]([O:4][C@:3]1([H:65])[C@@:2]([N:1]([H:74])[H:75])([H:62])[C@:15]([O:16][H:72])([H:73])[C@@:13]([O:14][H:70])([H:71])[C@:10]([C:11]([O:12][H:66])([H:67])[H:68])([H:69])[O:9]1)(=[O:6])[O:8][H:64]>>[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):C([H]):C(N([H])[H]):N:C:2=O)O[C@]1([H])C([H])([H])OP(=O)(O[H])[O:7][P:5]([O:4][C@:3]1([H:65])[C@@:2]([N:1]([H:74])[H:75])([H:62])[C@:15]([O:16][H:72])([H:73])[C@@:13]([O:14][H:70])([H:71])[C@:10]([C:11]([O:12][H:66])([H:67])[H:68])([H:69])[O:9]1)(=[O:6])[O:8][H:64]
Derived Operators
EVODEX.1-F459 - Elemental Balance
| P | 1 |
| O | 7 |
| C | 9 |
| N | 3 |
| H | 12 |
EVODEX.1-M163 - Mass Difference
305.04136
EVODEX.1-E1269 - Reaction Operator E
[#15:17]-[#8:19]-[H]>>[#15:17]-[#8:19]-[#15](-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6@](-[#7]2:[#6](-[H]):[#6](-[H]):[#6](=[#7]-[H]):[#7](-[H]):[#6]:2=[#8])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H])(-[H])-[H])(=[#8])-[#8]-[H]
EVODEX.1-C129 - Reaction Operator C
[H]-[#8:13]>>[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](-[#7](-[H])-[H]):[#7]:[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:13]
EVODEX.1-N585 - Reaction Operator N
[H]-[#8:27]-[#15:25]>>[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](-[#7](-[H])-[H]):[#7]:[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:27]-[#15:25]
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-R4418
[N:17]([C:18]1:[C:19]([H:46]):[C:20]([H:47]):[N:21]([C@:22]2([H:48])[O:23][C@@:24]([C:25]([O:26][P:27](=[O:28])([O:29][H:49])[O:30][P:31](=[O:32])([O:33][H:50])[O:34][P:35](=[O:36])([O:37][H:51])[O:38][H:52])([H:53])[H:54])([H:55])[C@:39]([O:40][H:56])([H:57])[C@:41]2([O:42][H:58])[H:59]):[C:43](=[O:44]):[N:45]:1)([H:60])[H:61].[H][O:7][P:5]([O:4][C@:3]1([H:65])[C@@:2]([N:1]([H:74])[H:75])([H:62])[C@:15]([O:16][H:72])([H:73])[C@@:13]([O:14][H:70])([H:71])[C@:10]([C:11]([O:12][H:66])([H:67])[H:68])([H:69])[O:9]1)(=[O:6])[O:8][H:64]>>[N:1]([C@@:2]1([H:62])[C@:3]([O:4][P:5](=[O:6])([O:7][P:27]([O:26][C:25]([C@@:24]2([H:55])[O:23][C@:22]([N:21]3:[C:20]([H:47]):[C:19]([H:46]):[C:18]([N:17]([H:60])[H:61]):[N:45]:[C:43]:3=[O:44])([H:48])[C@@:41]([O:42][H:58])([H:59])[C@@:39]2([O:40][H:56])[H:57])([H:53])[H:54])(=[O:28])[O:29][H:49])[O:8][H:64])([H:65])[O:9][C@@:10]([C:11]([O:12][H:66])([H:67])[H:68])([H:69])[C@:13]([O:14][H:70])([H:71])[C@@:15]1([O:16][H:72])[H:73])([H:74])[H:75].[H][O:30][P:31](=[O:32])([O:33][H:50])[O:34][P:35](=[O:36])([O:37][H:51])[O:38][H:52]