SMIRKS
[N:1]([C:2]1:[N:3]:[C:4]2:[C:5](:[N:6]:[C:7]([H:59]):[N:8]:2[C@@:9]2([H:60])[C:10]([H:61])([H:62])[C@@:11]([O:12][H:63])([H:64])[C@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:65])[O:19][P:20](=[O:21])([O:22][H:66])[O:23][P:24](=[O:25])([O:26][H:67])[O:27][H:68])([H:69])[H:70])([H:71])[O:28]2):[C:29](=[O:30]):[N:31]:1[H:72])([H:73])[H:74]>>[H][O:23][P:20]([O:19][P:16]([O:15][C:14]([C@:13]1([H:71])[C@:11]([O:12][H:63])([H:64])[C:10]([H:61])([H:62])[C@@:9]([N:8]2:[C:4]3:[N:3]:[C:2]([N:1]([H:73])[H:74]):[N:31]([H:72]):[C:29](=[O:30]):[C:5]:3:[N:6]:[C:7]:2[H:59])([H:60])[O:28]1)([H:69])[H:70])(=[O:17])[O:18][H:65])(=[O:21])[O:22][H:66].[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])OP(=O)(O[H])O[P:24](=[O:25])([O:26][H:67])[O:27][H:68]
Derived Operators
EVODEX.1-F385 - Elemental Balance
| P | 2 |
| O | 10 |
| C | 10 |
| N | 5 |
| H | 15 |
EVODEX.1-M27 - Mass Difference
427.02955
EVODEX.1-E1182 - Reaction Operator E
[#15:47]-[#8:50]-[#15:51](=[#8:52])(-[#8:53])-[#8:54]>>[#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](=[#8])(-[#8]-[#15:51](=[#8:52])(-[#8:53])-[#8:54])-[#8]-[H])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H].[#15:47]-[#8:50]-[H]
EVODEX.1-C881 - Reaction Operator C
([#8:23]-[#15:24].[#6@@:11])>>([H]-[#8:23].[#6@:11]).[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](=[#8])(-[#8]-[H])-[#8]-[#15:24]
EVODEX.1-N1346 - Reaction Operator N
([#6:10]-[#6@@:11](-[#8:12])(-[H:64])-[#6@:13].[#15:20]-[#8:23]-[#15:24](=[#8:25])(-[#8:26])-[#8:27])>>([H]-[#8:23]-[#15:20].[#8:12]-[#6@@:11](-[#6@:13])(-[H:64])-[#6:10]).[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](=[#8])(-[#8]-[H])-[#8]-[#15:24](=[#8:25])(-[#8:26])-[#8:27]
EVODEX.1-Em36 - Reaction Operator Em
[#8:7]-[#15:8](=[#8:9])(-[#8:10])-[#8:11]-[#15:12]>>[#15]-[#8]-[#15:8](-[#8:7])(=[#8:9])-[#8:10].[H]-[#8:11]-[#15:12]
EVODEX.1-Nm39 - Reaction Operator Nm
[#8:7]-[#15:8](=[#8:9])(-[#8:10])-[#8:11]-[#15:12]>>[#15]-[#8]-[#15:8](-[#8:7])(=[#8:9])-[#8:10].[H]-[#8:11]-[#15:12]
Source Full Reactions
EVODEX.1-R4295
[N:1]([C:2]1:[N:3]:[C:4]2:[C:5](:[N:6]:[C:7]([H:59]):[N:8]:2[C@@:9]2([H:60])[C:10]([H:61])([H:62])[C@@:11]([O:12][H:63])([H:64])[C@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:65])[O:19][P:20](=[O:21])([O:22][H:66])[O:23][P:24](=[O:25])([O:26][H:67])[O:27][H:68])([H:69])[H:70])([H:71])[O:28]2):[C:29](=[O:30]):[N:31]:1[H:72])([H:73])[H:74].[H][O:53][P:51]([O:50][P:47]([O:46][C:45]([C@@:44]1([H:83])[O:43][C@:42]([N:41]2:[C:37]3:[N:36]:[C:35]([H:75]):[N:34]:[C:33]([N:32]([H:88])[H:89]):[C:38]:3:[N:39]:[C:40]:2[H:76])([H:77])[C@@:57]([O:58][H:86])([H:87])[C@@:55]1([O:56][H:84])[H:85])([H:81])[H:82])(=[O:48])[O:49][H:78])(=[O:52])[O:54][H:80]>>[H][O:23][P:20]([O:19][P:16]([O:15][C:14]([C@:13]1([H:71])[C@:11]([O:12][H:63])([H:64])[C:10]([H:61])([H:62])[C@@:9]([N:8]2:[C:4]3:[N:3]:[C:2]([N:1]([H:73])[H:74]):[N:31]([H:72]):[C:29](=[O:30]):[C:5]:3:[N:6]:[C:7]:2[H:59])([H:60])[O:28]1)([H:69])[H:70])(=[O:17])[O:18][H:65])(=[O:21])[O:22][H:66].[P:24](=[O:25])([O:26][H:67])([O:27][H:68])[O:53][P:51]([O:50][P:47]([O:46][C:45]([C@@:44]1([H:83])[O:43][C@:42]([N:41]2:[C:37]3:[N:36]:[C:35]([H:75]):[N:34]:[C:33]([N:32]([H:88])[H:89]):[C:38]:3:[N:39]:[C:40]:2[H:76])([H:77])[C@@:57]([O:58][H:86])([H:87])[C@@:55]1([O:56][H:84])[H:85])([H:81])[H:82])(=[O:48])[O:49][H:78])(=[O:52])[O:54][H:80]