SMIRKS
[H][O:35][P:34](=[O:33])([O:36][H:66])[O:37][C@:38]1([H:67])[O:39][C@:40]([C:41]([F:42])([H:68])[H:69])([H:70])[C@:43]([O:44][H:71])([H:72])[C@:45]([O:46][H:73])([H:74])[C@@:47]1([O:48][H:75])[H:76]>>[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(=O):N([H]):C(N([H])[H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])[O:35][P:34](=[O:33])([O:36][H:66])[O:37][C@:38]1([H:67])[O:39][C@:40]([C:41]([F:42])([H:68])[H:69])([H:70])[C@:43]([O:44][H:71])([H:72])[C@:45]([O:46][H:73])([H:74])[C@@:47]1([O:48][H:75])[H:76]
Derived Operators
EVODEX.1-F460 - Elemental Balance
| P | 1 |
| O | 7 |
| C | 10 |
| N | 5 |
| H | 12 |
EVODEX.1-M441 - Mass Difference
345.0475599999999
EVODEX.1-E1271 - Reaction Operator E
[#15:34]-[#8:35]-[H]>>[#7](-[#6]1:[#7]:[#6]2:[#6](:[#7]:[#6](-[H]):[#7]:2-[#6@]2(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:35]-[#15:34])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-2(-[#8]-[H])-[H]):[#6](=[#8]):[#7]:1-[H])(-[H])-[H]
EVODEX.1-C477 - Reaction Operator C
[H]-[#8:35]>>[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](=[#8]):[#7](-[H]):[#6](-[#7](-[H])-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:35]
EVODEX.1-N582 - Reaction Operator N
[H]-[#8:35]-[#15:34]>>[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](=[#8]):[#7](-[H]):[#6](-[#7](-[H])-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:35]-[#15:34]
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-R4415
[N:1]([C:2]1:[N:3]:[C:4]2:[C:5](:[N:6]:[C:7]([H:49]):[N:8]:2[C@:9]2([H:50])[O:10][C@@:11]([C:12]([O:13][P:14](=[O:15])([O:16][H:51])[O:17][P:18](=[O:19])([O:20][H:52])[O:21][P:22](=[O:23])([O:24][H:53])[O:25][H:54])([H:55])[H:56])([H:57])[C@:26]([O:27][H:58])([H:59])[C@:28]2([O:29][H:60])[H:61]):[C:30](=[O:31]):[N:32]:1[H:62])([H:63])[H:64].[H][O:35][P:34](=[O:33])([O:36][H:66])[O:37][C@:38]1([H:67])[O:39][C@:40]([C:41]([F:42])([H:68])[H:69])([H:70])[C@:43]([O:44][H:71])([H:72])[C@:45]([O:46][H:73])([H:74])[C@@:47]1([O:48][H:75])[H:76]>>[N:1]([C:2]1:[N:3]:[C:4]2:[C:5](:[N:6]:[C:7]([H:49]):[N:8]:2[C@:9]2([H:50])[O:10][C@@:11]([C:12]([O:13][P:14](=[O:15])([O:16][H:51])[O:35][P:34](=[O:33])([O:36][H:66])[O:37][C@:38]3([H:67])[O:39][C@:40]([C:41]([F:42])([H:68])[H:69])([H:70])[C@:43]([O:44][H:71])([H:72])[C@:45]([O:46][H:73])([H:74])[C@@:47]3([O:48][H:75])[H:76])([H:55])[H:56])([H:57])[C@:26]([O:27][H:58])([H:59])[C@:28]2([O:29][H:60])[H:61]):[C:30](=[O:31]):[N:32]:1[H:62])([H:63])[H:64].[H][O:17][P:18](=[O:19])([O:20][H:52])[O:21][P:22](=[O:23])([O:24][H:53])[O:25][H:54]