SMIRKS
[N:1]([C:2]1:[N:3]:[C:4]([H:50]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:51]):[N:10]:2[C@:11]1([H:52])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:53])[O:19][P:20](=[O:21])([O:22][H:54])[O:23][P:24](=[O:25])([O:26][H:55])[O:27][H:56])([H:57])[H:58])([H:59])[C@:28]([O:29][H:60])([H:61])[C@:30]1([O:31][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:59])[O:12][C@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:50]):[N:3]:[C:2]([N:1]([H:64])[H:65]):[C:7]:3:[N:8]:[C:9]:2[H:51])([H:52])[C@@:30]([O:31][H:62])([H:63])[C@@:28]1([O:29][H:60])[H:61])([H:57])[H:58])(=[O:17])[O:18][H:53])(=[O:21])[O:22][H:54].[H]O[C@@]1([H])C([H])([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])O[P:24](=[O:25])([O:26][H:55])[O:27][H:56]
Derived Operators
EVODEX.1-F70 - Elemental Balance
| O | 3 |
| C | 10 |
| N | 5 |
| H | 13 |
EVODEX.1-M217 - Mass Difference
251.10199
EVODEX.1-E617 - Reaction Operator E
[#15:24]-[#8:27]-[#15:28](=[#8:29])(-[#8:30])-[#8:31]>>[#15:24]-[#8:27]-[H].[#15:28](=[#8:29])(-[#8:30])(-[#8:31])-[#8]-[#6](-[#6@]1(-[H])-[#6@](-[#8]-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[#7]2:[#6]3:[#7]:[#6](-[H]):[#7]:[#6](-[#7](-[H])-[H]):[#6]:3:[#7]:[#6]:2-[H])(-[H])-[#8]-1)(-[H])-[H]
EVODEX.1-C972 - Reaction Operator C
([#8:23]-[#15:24].[#6@@:13]-[#6@:28])>>([H]-[#8:23].[#6@:13]-[#6@@:28]).[H]-[#8]-[#6@@]1(-[H])-[#6](-[H])(-[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]-[#15:24]
EVODEX.1-N1320 - Reaction Operator N
([#15:20]-[#8:23]-[#15:24](=[#8:25])(-[#8:26])-[#8:27].[#8:29]-[#6@@:28](-[#6@@:13])(-[H:61])-[#6@:30](-[#6@:11])(-[#8:31])-[H:63])>>([H]-[#8:23]-[#15:20].[#8:31]-[#6@:30](-[#6@:11])(-[H:63])-[#6@@:28](-[#6@@:13])(-[#8:29])-[H:61]).[H]-[#8]-[#6@@]1(-[H])-[#6](-[H])(-[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]-[#15:24](=[#8:25])(-[#8:26])-[#8:27]
EVODEX.1-Em9 - Reaction Operator Em
[#15:11]-[#8:14]-[#15:15](=[#8:16])(-[#8:17])-[#8:18]>>[#6]-[#8]-[#15:15](=[#8:16])(-[#8:17])-[#8:18].[H]-[#8:14]-[#15:11]
EVODEX.1-Nm10 - Reaction Operator Nm
[#15:11]-[#8:14]-[#15:15](=[#8:16])(-[#8:17])-[#8:18]>>[#6]-[#8]-[#15:15](=[#8:16])(-[#8:17])-[#8:18].[H]-[#8:14]-[#15:11]
Source Full Reactions
EVODEX.1-R3893
[N:1]([C:2]1:[N:3]:[C:4]([H:50]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:51]):[N:10]:2[C@:11]1([H:52])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:53])[O:19][P:20](=[O:21])([O:22][H:54])[O:23][P:24](=[O:25])([O:26][H:55])[O:27][H:56])([H:57])[H:58])([H:59])[C@:28]([O:29][H:60])([H:61])[C@:30]1([O:31][H:62])[H:63])([H:64])[H:65].[H][O:48][C:47]([C@:46]1([H:76])[C@:44]([O:45][H:71])([H:72])[C:43]([H:69])([H:70])[C@@:42]([N:41]2:[C:37]3:[N:36]:[C:35]([H:66]):[N:34]:[C:33]([N:32]([H:77])[H:78]):[C:38]:3:[N:39]:[C:40]:2[H:67])([H:68])[O:49]1)([H:74])[H:75]>>[H][O:23][P:20]([O:19][P:16]([O:15][C:14]([C@@:13]1([H:59])[O:12][C@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:50]):[N:3]:[C:2]([N:1]([H:64])[H:65]):[C:7]:3:[N:8]:[C:9]:2[H:51])([H:52])[C@@:30]([O:31][H:62])([H:63])[C@@:28]1([O:29][H:60])[H:61])([H:57])[H:58])(=[O:17])[O:18][H:53])(=[O:21])[O:22][H:54].[P:24](=[O:25])([O:26][H:55])([O:27][H:56])[O:48][C:47]([C@:46]1([H:76])[C@:44]([O:45][H:71])([H:72])[C:43]([H:69])([H:70])[C@@:42]([N:41]2:[C:37]3:[N:36]:[C:35]([H:66]):[N:34]:[C:33]([N:32]([H:77])[H:78]):[C:38]:3:[N:39]:[C:40]:2[H:67])([H:68])[O:49]1)([H:74])[H:75]