SMIRKS
[H][O:34][C:33](=[O:32])[C:35]1:[C:36]([H:60]):[C:37]([O:38][H:61]):[C:39]([H:62]):[C:40]([H:63]):[C:41]:1[O:42][H:64]>>[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])[O:34][C:33](=[O:32])[C:35]1:[C:36]([H:60]):[C:37]([O:38][H:61]):[C:39]([H:62]):[C:40]([H:63]):[C:41]:1[O:42][H:64]
Derived Operators
EVODEX.1-F116 - Elemental Balance
| P | 1 |
| O | 6 |
| C | 10 |
| N | 5 |
| H | 12 |
EVODEX.1-M34 - Mass Difference
329.05266
EVODEX.1-E732 - Reaction Operator E
[#6:33]-[#8:34]-[H]>>[#7](-[#6]1:[#7]:[#6](-[H]):[#7]:[#6]2:[#6]:1:[#7]:[#6](-[H]):[#7]:2-[#6@]1(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:34]-[#6:33])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H]
EVODEX.1-C128 - Reaction Operator C
[H]-[#8:27]>>[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:27]
EVODEX.1-N584 - Reaction Operator N
[H]-[#8:34]-[#6:33]>>[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:34]-[#6:33]
Source Full Reactions
EVODEX.1-R7510
[N:1]([C:2]1:[N:3]:[C:4]([H:43]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:44]):[N:10]:2[C@:11]1([H:45])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:46])[O:19][P:20](=[O:21])([O:22][H:47])[O:23][P:24](=[O:25])([O:26][H:48])[O:27][H:49])([H:50])[H:51])([H:52])[C@:28]([O:29][H:53])([H:54])[C@:30]1([O:31][H:55])[H:56])([H:57])[H:58].[H][O:34][C:33](=[O:32])[C:35]1:[C:36]([H:60]):[C:37]([O:38][H:61]):[C:39]([H:62]):[C:40]([H:63]):[C:41]:1[O:42][H:64]>>[N:1]([C:2]1:[N:3]:[C:4]([H:43]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:44]):[N:10]:2[C@:11]1([H:45])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:46])[O:34][C:33](=[O:32])[C:35]2:[C:36]([H:60]):[C:37]([O:38][H:61]):[C:39]([H:62]):[C:40]([H:63]):[C:41]:2[O:42][H:64])([H:50])[H:51])([H:52])[C@:28]([O:29][H:53])([H:54])[C@:30]1([O:31][H:55])[H:56])([H:57])[H:58].[H][O:19][P:20](=[O:21])([O:22][H:47])[O:23][P:24](=[O:25])([O:26][H:48])[O:27][H:49]