SMIRKS
[H][O:16][P:14]([O:13][C:12]([C@@:11]1([H:53])[O:10][C@:9]([N:8]2:[C:4]3:[N:3]:[C:2]([N:1]([H:59])[H:60]):[N:24]([H:58]):[C:22](=[O:23]):[C:5]:3:[N:6]:[C:7]:2[H:47])([H:48])[C@@:20]([O:21][H:56])([H:57])[C@@:18]1([O:19][H:54])[H:55])([H:51])[H:52])(=[O:15])[O:17][H:50].[H]O[C@@]1([H])[C@@]([H])(O[P:35](=[O:36])([O:37][H:64])[O:38][P:39](=[O:40])([O:41][H:65])[O:42][H:66])O[C@]([H])(C([H])([H])OP(=O)(O[H])O[H])[C@@]1([H])O[H]>>[N:1]([C:2]1:[N:3]:[C:4]2:[C:5](:[N:6]:[C:7]([H:47]):[N:8]:2[C@:9]2([H:48])[O:10][C@@:11]([C:12]([O:13][P:14](=[O:15])([O:16][P:35](=[O:36])([O:37][H:64])[O:38][P:39](=[O:40])([O:41][H:65])[O:42][H:66])[O:17][H:50])([H:51])[H:52])([H:53])[C@:18]([O:19][H:54])([H:55])[C@:20]2([O:21][H:56])[H:57]):[C:22](=[O:23]):[N:24]:1[H:58])([H:59])[H:60]
Derived Operators
EVODEX.1-F312 - Elemental Balance
| C | -5 |
| P | -1 |
| O | -8 |
| H | -11 |
EVODEX.1-M326 - Mass Difference
-230.01913
EVODEX.1-E1085 - Reaction Operator E
[#15:16]-[#8:18]-[H].[#8]=[#15](-[#8]-[H])(-[#8]-[H])-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6@@](-[#8]-[#15:30](=[#8:31])(-[#8:32])-[#8:33])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H])(-[H])-[H]>>[#15:16]-[#8:18]-[#15:30](=[#8:31])(-[#8:32])-[#8:33]
EVODEX.1-C1100 - Reaction Operator C
([H]-[#8:13].[#6@@:17]-[#6@@:15]).[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[#15:32])-[#8]-[#6@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@]-1(-[H])-[#8]-[H]>>([#8:13]-[#15:32].[#6@:15]-[#6@:17])
EVODEX.1-N1352 - Reaction Operator N
([H]-[#8:13]-[#15:11].[#8:18]-[#6@:17](-[#6@:6])(-[H:55])-[#6@@:15](-[#6@@:8])(-[#8:16])-[H:53]).[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[#15:32](=[#8:33])(-[#8:34])-[#8:35])-[#8]-[#6@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@]-1(-[H])-[#8]-[H]>>([#15:11]-[#8:13]-[#15:32](=[#8:33])(-[#8:34])-[#8:35].[#8:16]-[#6@@:15](-[#6@@:8])(-[H:53])-[#6@:17](-[#6@:6])(-[#8:18])-[H:55])
EVODEX.1-Em563 - Reaction Operator Em
[H]-[#8:18]-[#15:16].[#6]-[#8]-[#15:30](=[#8:31])(-[#8:32])-[#8:33]>>[#15:16]-[#8:18]-[#15:30](=[#8:31])(-[#8:32])-[#8:33]
EVODEX.1-Nm509 - Reaction Operator Nm
[H]-[#8:18]-[#15:16].[#6]-[#8]-[#15:30](=[#8:31])(-[#8:32])-[#8:33]>>[#15:16]-[#8:18]-[#15:30](=[#8:31])(-[#8:32])-[#8:33]
Source Full Reactions
EVODEX.1-R4316
[H][O:16][P:14]([O:13][C:12]([C@@:11]1([H:53])[O:10][C@:9]([N:8]2:[C:4]3:[N:3]:[C:2]([N:1]([H:59])[H:60]):[N:24]([H:58]):[C:22](=[O:23]):[C:5]:3:[N:6]:[C:7]:2[H:47])([H:48])[C@@:20]([O:21][H:56])([H:57])[C@@:18]1([O:19][H:54])[H:55])([H:51])[H:52])(=[O:15])[O:17][H:50].[O:25]=[P:26]([O:27][H:61])([O:28][H:62])[O:29][C:30]([C@@:31]1([H:63])[O:32][C@@:33]([O:34][P:35](=[O:36])([O:37][H:64])[O:38][P:39](=[O:40])([O:41][H:65])[O:42][H:66])([H:67])[C@@:43]([O:44][H:68])([H:69])[C@@:45]1([O:46][H:70])[H:71])([H:72])[H:73]>>[N:1]([C:2]1:[N:3]:[C:4]2:[C:5](:[N:6]:[C:7]([H:47]):[N:8]:2[C@:9]2([H:48])[O:10][C@@:11]([C:12]([O:13][P:14](=[O:15])([O:16][P:35](=[O:36])([O:37][H:64])[O:38][P:39](=[O:40])([O:41][H:65])[O:42][H:66])[O:17][H:50])([H:51])[H:52])([H:53])[C@:18]([O:19][H:54])([H:55])[C@:20]2([O:21][H:56])[H:57]):[C:22](=[O:23]):[N:24]:1[H:58])([H:59])[H:60].[H][O:34][C:33]1([H:67])[O:32][C@@:31]([C:30]([O:29][P:26](=[O:25])([O:27][H:61])[O:28][H:62])([H:72])[H:73])([H:63])[C@:45]([O:46][H:70])([H:71])[C@:43]1([O:44][H:68])[H:69]