SMIRKS
[N:24]([C:25]1:[N:26]:[C:27]([H:68]):[N:28]:[C:29]2:[C:30]:1:[N:31]:[C:32]([H:69]):[N:33]:2[C@@:34]1([H:70])[C:35]([H:71])([H:72])[C@@:36]([O:37][H:73])([H:74])[C@:38]([C:39]([O:40][P:41](=[O:42])([O:43][H:75])[O:44][P:45](=[O:46])([O:47][H:76])[O:48][P:49](=[O:50])([O:51][H:77])[O:52][H:78])([H:79])[H:80])([H:81])[O:53]1)([H:82])[H:83]>>[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])O[P:49](=[O:50])([O:51][H:77])[O:52][H:78].[H][O:48][P:45]([O:44][P:41]([O:40][C:39]([C@:38]1([H:81])[C@:36]([O:37][H:73])([H:74])[C:35]([H:71])([H:72])[C@@:34]([N:33]2:[C:29]3:[N:28]:[C:27]([H:68]):[N:26]:[C:25]([N:24]([H:82])[H:83]):[C:30]:3:[N:31]:[C:32]:2[H:69])([H:70])[O:53]1)([H:79])[H:80])(=[O:42])[O:43][H:75])(=[O:46])[O:47][H:76]
Derived Operators
EVODEX.1-F283 - Elemental Balance
| P | 1 |
| O | 7 |
| C | 10 |
| N | 5 |
| H | 14 |
EVODEX.1-M78 - Mass Difference
347.06321999999994
EVODEX.1-E1038 - Reaction Operator E
[#8:24]=[#15:25](-[#8:26])(-[#8:27])-[#8:28]-[#15:29]>>[#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]-[#15:25](=[#8:24])(-[#8:26])-[#8:27])-[#8]-[H])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H].[#8:28](-[#15:29])-[H]
EVODEX.1-C977 - Reaction Operator C
([#8:48]-[#15:49].[#6@@:36])>>[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]-[#15:49].([H]-[#8:48].[#6@:36])
EVODEX.1-N1349 - Reaction Operator N
([#6:35]-[#6@@:36](-[#8:37])(-[H:74])-[#6@:38].[#15:45]-[#8:48]-[#15:49](=[#8:50])(-[#8:51])-[#8:52])>>[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]-[#15:49](=[#8:50])(-[#8:51])-[#8:52].([H]-[#8:48]-[#15:45].[#8:37]-[#6@@:36](-[#6@:38])(-[H:74])-[#6:35])
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-R4289
[H][O:18][P:16]([O:15][C:14]([C@@:13]1([H:61])[O:12][C@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:54]):[N:3]:[C:2]([N:1]([H:66])[H:67]):[C:7]:3:[N:8]:[C:9]:2[H:55])([H:56])[C@@:22]([O:23][H:64])([H:65])[C@@:20]1([O:21][H:62])[H:63])([H:59])[H:60])(=[O:17])[O:19][H:58].[N:24]([C:25]1:[N:26]:[C:27]([H:68]):[N:28]:[C:29]2:[C:30]:1:[N:31]:[C:32]([H:69]):[N:33]:2[C@@:34]1([H:70])[C:35]([H:71])([H:72])[C@@:36]([O:37][H:73])([H:74])[C@:38]([C:39]([O:40][P:41](=[O:42])([O:43][H:75])[O:44][P:45](=[O:46])([O:47][H:76])[O:48][P:49](=[O:50])([O:51][H:77])[O:52][H:78])([H:79])[H:80])([H:81])[O:53]1)([H:82])[H:83]>>[N:1]([C:2]1:[N:3]:[C:4]([H:54]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:55]):[N:10]:2[C@:11]1([H:56])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][P:49](=[O:50])([O:51][H:77])[O:52][H:78])[O:19][H:58])([H:59])[H:60])([H:61])[C@:20]([O:21][H:62])([H:63])[C@:22]1([O:23][H:64])[H:65])([H:66])[H:67].[H][O:48][P:45]([O:44][P:41]([O:40][C:39]([C@:38]1([H:81])[C@:36]([O:37][H:73])([H:74])[C:35]([H:71])([H:72])[C@@:34]([N:33]2:[C:29]3:[N:28]:[C:27]([H:68]):[N:26]:[C:25]([N:24]([H:82])[H:83]):[C:30]:3:[N:31]:[C:32]:2[H:69])([H:70])[O:53]1)([H:79])[H:80])(=[O:42])[O:43][H:75])(=[O:46])[O:47][H:76]