SMIRKS
[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[P:20](=[O:21])([O:22][H:46])[O:23][P:24](=[O:25])([O:26][H:47])[O:27][H:48].[H][O:41][C:40]([C@@:38]([C@:36]([C:33](=[O:32])[C:34]([O:35][H:58])([H:59])[H:60])([O:37][H:61])[H:67])([O:39][H:62])[H:66])([H:64])[H:65]>>[P:20](=[O:21])([O:22][H:46])([O:23][P:24](=[O:25])([O:26][H:47])[O:27][H:48])[O:41][C:40]([C@@:38]([C@:36]([C:33](=[O:32])[C:34]([O:35][H:58])([H:59])[H:60])([O:37][H:61])[H:67])([O:39][H:62])[H:66])([H:64])[H:65]
Derived Operators
EVODEX.1-F113 - Elemental Balance
| P | -1 |
| O | -7 |
| C | -10 |
| N | -5 |
| H | -14 |
EVODEX.1-M24 - Mass Difference
-347.06321999999994
EVODEX.1-E722 - Reaction Operator E
[#8:17](-[#6@:16])-[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]-[#15:39](=[#8:40])(-[#8:41])-[#8:42])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H]>>[#8:17](-[#6@:16])-[#15:39](=[#8:40])(-[#8:41])-[#8:42]
EVODEX.1-C879 - Reaction Operator C
[H]-[#8]-[#6]1(-[H])-[#6](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:16])-[#6]-1(-[H])-[#8]-[H].[H]-[#8:45]>>[#15:16]-[#8:45]
EVODEX.1-N1628 - Reaction Operator N
[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]-[#15:20](=[#8:21])(-[#8:22])-[#8:23].[H]-[#8:41]-[#6:40]>>[#15:20](=[#8:21])(-[#8:22])(-[#8:23])-[#8:41]-[#6:40]
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-R3949
[N:1]([C:2]1:[N:3]:[C:4]([H:42]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:43]):[N:10]:2[C@:11]1([H:44])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:45])[O:19][P:20](=[O:21])([O:22][H:46])[O:23][P:24](=[O:25])([O:26][H:47])[O:27][H:48])([H:49])[H:50])([H:51])[C@:28]([O:29][H:52])([H:53])[C@:30]1([O:31][H:54])[H:55])([H:56])[H:57].[H][O:41][C:40]([C@@:38]([C@:36]([C:33](=[O:32])[C:34]([O:35][H:58])([H:59])[H:60])([O:37][H:61])[H:67])([O:39][H:62])[H:66])([H:64])[H:65]>>[H][O:19][P:16]([O:15][C:14]([C@@:13]1([H:51])[O:12][C@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:42]):[N:3]:[C:2]([N:1]([H:56])[H:57]):[C:7]:3:[N:8]:[C:9]:2[H:43])([H:44])[C@@:30]([O:31][H:54])([H:55])[C@@:28]1([O:29][H:52])[H:53])([H:49])[H:50])(=[O:17])[O:18][H:45].[P:20](=[O:21])([O:22][H:46])([O:23][P:24](=[O:25])([O:26][H:47])[O:27][H:48])[O:41][C:40]([C@@:38]([C@:36]([C:33](=[O:32])[C:34]([O:35][H:58])([H:59])[H:60])([O:37][H:61])[H:67])([O:39][H:62])[H:66])([H:64])[H:65]