SMIRKS
[H]OP(=O)(O[H])OP(=O)(O[H])O[C:12]([C@@:11]1([H:45])[O:10][C@:9]([N:8]2:[C:4]3:[N:3]:[C:2]([N:1]([H:53])[H:54]):[N:36]([H:52]):[C:34](=[O:35]):[C:5]:3:[N:6]:[C:7]:2[H:38])([H:39])[C@@:32]([O:33][H:50])([H:51])[C@@:22]1([O:23][P:24](=[O:25])([O:26][H:46])[O:27][P:28](=[O:29])([O:30][H:47])[O:31][H:48])[H:49])([H:43])[H:44].[H][O:37][H:55]>>[N:1]([C:2]1:[N:3]:[C:4]2:[C:5](:[N:6]:[C:7]([H:38]):[N:8]:2[C@:9]2([H:39])[O:10][C@@:11]([C:12]([O:37][H:55])([H:43])[H:44])([H:45])[C@:22]([O:23][P:24](=[O:25])([O:26][H:46])[O:27][P:28](=[O:29])([O:30][H:47])[O:31][H:48])([H:49])[C@:32]2([O:33][H:50])[H:51]):[C:34](=[O:35]):[N:36]:1[H:52])([H:53])[H:54]
Derived Operators
EVODEX.1-F111 - Elemental Balance
| P | -2 |
| O | -7 |
| H | -4 |
EVODEX.1-M8 - Mass Difference
-177.94322
EVODEX.1-E708 - Reaction Operator E
[#6:9](-[#6@@:8])(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])(-[H:33])-[H:34].[#8:26](-[H:42])-[H]>>[#6:9](-[#6@@:8])(-[#8:26]-[H:42])(-[H:33])-[H:34]
EVODEX.1-C1384 - Reaction Operator C
([H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6:12].[#6@@:32]-[#6@@:22]).[H]-[#8:37]>>([#6:12]-[#8:37].[#6@:22]-[#6@:32])
EVODEX.1-N1759 - Reaction Operator N
[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6:12](-[#6@@:11]-[#6@:22](-[#6@:32](-[#6@:9])(-[#8:33])-[H:51])(-[#8:23])-[H:49])(-[H:43])-[H:44].[H]-[#8:37]-[H:55]>>[#6:12](-[#6@@:11]-[#6@:22](-[#8:23])(-[H:49])-[#6@:32](-[#6@:9])(-[#8:33])-[H:51])(-[#8:37]-[H:55])(-[H:43])-[H:44]
EVODEX.1-Em104 - Reaction Operator Em
[#15]-[#8]-[#6:12]-[#6:11].[H]-[#8:37]>>[#6:11]-[#6:12]-[#8:37]
EVODEX.1-Nm137 - Reaction Operator Nm
[#15]-[#8]-[#6:12]-[#6:11].[H]-[#8:37]>>[#6:11]-[#6:12]-[#8:37]
Source Full Reactions
EVODEX.1-R5136
[N:1]([C:2]1:[N:3]:[C:4]2:[C:5](:[N:6]:[C:7]([H:38]):[N:8]:2[C@:9]2([H:39])[O:10][C@@:11]([C:12]([O:13][P:14](=[O:15])([O:16][H:40])[O:17][P:18](=[O:19])([O:20][H:41])[O:21][H:42])([H:43])[H:44])([H:45])[C@:22]([O:23][P:24](=[O:25])([O:26][H:46])[O:27][P:28](=[O:29])([O:30][H:47])[O:31][H:48])([H:49])[C@:32]2([O:33][H:50])[H:51]):[C:34](=[O:35]):[N:36]:1[H:52])([H:53])[H:54].[H][O:37][H:55]>>[N:1]([C:2]1:[N:3]:[C:4]2:[C:5](:[N:6]:[C:7]([H:38]):[N:8]:2[C@:9]2([H:39])[O:10][C@@:11]([C:12]([O:37][H:55])([H:43])[H:44])([H:45])[C@:22]([O:23][P:24](=[O:25])([O:26][H:46])[O:27][P:28](=[O:29])([O:30][H:47])[O:31][H:48])([H:49])[C@:32]2([O:33][H:50])[H:51]):[C:34](=[O:35]):[N:36]:1[H:52])([H:53])[H:54].[H][O:13][P:14](=[O:15])([O:16][H:40])[O:17][P:18](=[O:19])([O:20][H:41])[O:21][H:42]