SMIRKS
[H]O[C@@]1([H])C([H])([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])OP(=O)(O[H])O[P:24](=[O:25])([O:26][H:49])[O:27][H:50].[H][O:32][C:33]([C@@:34]1([H:57])[O:35][C:36]([O:37][H:58])([H:59])[C:38]([H:60])([H:61])[C@@:39]1([O:40][H:62])[H:63])([H:64])[H:65]>>[P:24](=[O:25])([O:26][H:49])([O:27][H:50])[O:32][C:33]([C@@:34]1([H:57])[O:35][C:36]([O:37][H:58])([H:59])[C:38]([H:60])([H:61])[C@@:39]1([O:40][H:62])[H:63])([H:64])[H:65]
Derived Operators
EVODEX.1-F125 - Elemental Balance
| P | -2 |
| O | -10 |
| C | -10 |
| N | -5 |
| H | -15 |
EVODEX.1-M11 - Mass Difference
-427.02955
EVODEX.1-E759 - Reaction Operator E
[#7](-[#6]1:[#7]:[#6]2:[#6](:[#7]:[#6](-[H]):[#7]:2-[#6@@]2(-[H])-[#6](-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:24](=[#8:25])(-[#8:26])-[#8:27])(-[H])-[H])(-[H])-[#8]-2):[#6](=[#8]):[#7]:1-[H])(-[H])-[H].[#6:33]-[#8:34]-[H]>>[#15:24](=[#8:25])(-[#8:26])(-[#8:27])-[#8:34]-[#6:33]
EVODEX.1-C978 - Reaction Operator C
[H]-[#8]-[#6@@]1(-[H])-[#6](-[H])(-[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]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:24].[H]-[#8:34]>>[#15:24]-[#8:34]
EVODEX.1-N1215 - Reaction Operator N
[H]-[#8]-[#6@@]1(-[H])-[#6](-[H])(-[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]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:24](=[#8:25])(-[#8:26])-[#8:27].[H]-[#8:34]-[#6:33]>>[#15:24](=[#8:25])(-[#8:26])(-[#8:27])-[#8:34]-[#6:33]
EVODEX.1-Em5 - Reaction Operator Em
[#15]-[#8]-[#15:16](-[#8:15])(=[#8:17])-[#8:18].[H]-[#8:34]-[#6:33]>>[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:34]-[#6:33]
EVODEX.1-Nm6 - Reaction Operator Nm
[#15]-[#8]-[#15:16](-[#8:15])(=[#8:17])-[#8:18].[H]-[#8:34]-[#6:33]>>[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:34]-[#6:33]
Source Full Reactions
EVODEX.1-R3997
[N:1]([C:2]1:[N:3]:[C:4]2:[C:5](:[N:6]:[C:7]([H:41]):[N:8]:2[C@@:9]2([H:42])[C:10]([H:43])([H:44])[C@@:11]([O:12][H:45])([H:46])[C@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:47])[O:19][P:20](=[O:21])([O:22][H:48])[O:23][P:24](=[O:25])([O:26][H:49])[O:27][H:50])([H:51])[H:52])([H:53])[O:28]2):[C:29](=[O:30]):[N:31]:1[H:54])([H:55])[H:56].[H][O:32][C:33]([C@@:34]1([H:57])[O:35][C:36]([O:37][H:58])([H:59])[C:38]([H:60])([H:61])[C@@:39]1([O:40][H:62])[H:63])([H:64])[H:65]>>[H][O:23][P:20]([O:19][P:16]([O:15][C:14]([C@:13]1([H:53])[C@:11]([O:12][H:45])([H:46])[C:10]([H:43])([H:44])[C@@:9]([N:8]2:[C:4]3:[N:3]:[C:2]([N:1]([H:55])[H:56]):[N:31]([H:54]):[C:29](=[O:30]):[C:5]:3:[N:6]:[C:7]:2[H:41])([H:42])[O:28]1)([H:51])[H:52])(=[O:17])[O:18][H:47])(=[O:21])[O:22][H:48].[P:24](=[O:25])([O:26][H:49])([O:27][H:50])[O:32][C:33]([C@@:34]1([H:57])[O:35][C:36]([O:37][H:58])([H:59])[C:38]([H:60])([H:61])[C@@:39]1([O:40][H:62])[H:63])([H:64])[H:65]