SMIRKS
[H]OP(=O)(O[H])OP(=O)(O[H])O[P:16]([O:15][C:14]([C@:13]1([H:45])[C@:11]([O:12][H:37])([H:38])[C:10]([H:35])([H:36])[C@@:9]([N:8]2:[C:4]3:[N:3]:[C:2]([N:1]([H:47])[H:48]):[N:31]([H:46]):[C:29](=[O:30]):[C:5]:3:[N:6]:[C:7]:2[H:33])([H:34])[O:28]1)([H:43])[H:44])(=[O:17])[O:18][H:39].[H][O:32][H:49]>>[N:1]([C:2]1:[N:3]:[C:4]2:[C:5](:[N:6]:[C:7]([H:33]):[N:8]:2[C@@:9]2([H:34])[C:10]([H:35])([H:36])[C@@:11]([O:12][H:37])([H:38])[C@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:39])[O:32][H:49])([H:43])[H:44])([H:45])[O:28]2):[C:29](=[O:30]):[N:31]:1[H:46])([H:47])[H:48]
Derived Operators
EVODEX.1-F111 - Elemental Balance
| P | -2 |
| O | -7 |
| H | -4 |
EVODEX.1-M8 - Mass Difference
-177.94322
EVODEX.1-E713 - Reaction Operator E
[#8:16]-[#15:17](=[#8:18])(-[#8:19])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H].[#8:31](-[H:48])-[H]>>[#8:16]-[#15:17](=[#8:18])(-[#8:19])-[#8:31]-[H:48]
EVODEX.1-C478 - Reaction Operator C
([H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:16].[#6@:11]).[H]-[#8:32]>>([#15:16]-[#8:32].[#6@@:11])
EVODEX.1-N1410 - Reaction Operator N
([H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:16](-[#8:15])(=[#8:17])-[#8:18].[#8:12]-[#6@@:11](-[#6@:13])(-[H:38])-[#6:10]).[H]-[#8:32]-[H:49]>>([#6:10]-[#6@@:11](-[#8:12])(-[H:38])-[#6@:13].[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:32]-[H:49])
EVODEX.1-Em62 - Reaction Operator Em
[#15]-[#8]-[#15:19](-[#8:18])(=[#8:20])-[#8:21].[H]-[#8:33]>>[#8:18]-[#15:19](=[#8:20])(-[#8:21])-[#8:33]
EVODEX.1-Nm74 - Reaction Operator Nm
[#15]-[#8]-[#15:19](-[#8:18])(=[#8:20])-[#8:21].[H]-[#8:33]>>[#8:18]-[#15:19](=[#8:20])(-[#8:21])-[#8:33]
Source Full Reactions
EVODEX.1-R6622
[N:1]([C:2]1:[N:3]:[C:4]2:[C:5](:[N:6]:[C:7]([H:33]):[N:8]:2[C@@:9]2([H:34])[C:10]([H:35])([H:36])[C@@:11]([O:12][H:37])([H:38])[C@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:39])[O:19][P:20](=[O:21])([O:22][H:40])[O:23][P:24](=[O:25])([O:26][H:41])[O:27][H:42])([H:43])[H:44])([H:45])[O:28]2):[C:29](=[O:30]):[N:31]:1[H:46])([H:47])[H:48].[H][O:32][H:49]>>[N:1]([C:2]1:[N:3]:[C:4]2:[C:5](:[N:6]:[C:7]([H:33]):[N:8]:2[C@@:9]2([H:34])[C:10]([H:35])([H:36])[C@@:11]([O:12][H:37])([H:38])[C@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:39])[O:32][H:49])([H:43])[H:44])([H:45])[O:28]2):[C:29](=[O:30]):[N:31]:1[H:46])([H:47])[H:48].[H][O:19][P:20](=[O:21])([O:22][H:40])[O:23][P:24](=[O:25])([O:26][H:41])[O:27][H:42]
EVODEX.1-R6641
[N:1]([C:2]1:[N:3]:[C:4]2:[C:5](:[N:6]:[C:7]([H:34]):[N:8]:2[C@@:9]2([H:35])[C:10]([H:36])([H:37])[C@@:11]([O:12][H:38])([H:39])[C@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:40])[O:19][P:20](=[O:21])([O:22][H:41])[O:23][P:24](=[O:25])([O:26][H:42])[O:27][H:43])([H:44])[H:45])([H:46])[O:28]2):[C:29](=[O:30]):[N:31]:1[H:47])([H:48])[H:49].[H][O:32][H:50].[H][O:33][H:52]>>[N:1]([C:2]1:[N:3]:[C:4]2:[C:5](:[N:6]:[C:7]([H:34]):[N:8]:2[C@@:9]2([H:35])[C:10]([H:36])([H:37])[C@@:11]([O:12][H:38])([H:39])[C@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:40])[O:32][H:50])([H:44])[H:45])([H:46])[O:28]2):[C:29](=[O:30]):[N:31]:1[H:47])([H:48])[H:49].[H][O:19][P:20](=[O:21])([O:22][H:41])[O:33][H:52].[H][O:23][P:24](=[O:25])([O:26][H:42])[O:27][H:43]