SMIRKS
[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):C([H]):C(=O):N([H]):C:2=O)O[C@]1([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])O[C@@:19]1([H:54])[O:20][C@@:21]([C:22]([O:23][H:55])([H:56])[H:57])([H:58])[C@@:24]([O:25][H:59])([H:60])[C@@:26]([O:27][H:61])([H:62])[C@:28]1([O:29][H:63])[H:64].[H][O:46][C@:45]1([H:79])[C@:43]([O:44][H:76])([H:77])[C@@:41]([O:42][H:74])([H:75])[O:40][C@@:39]([C:38]([O:37][H:84])([H:82])[H:83])([H:73])[C@@:47]1([O:48][H:80])[H:81]>>[C@@:19]1([O:46][C@:45]2([H:79])[C@:43]([O:44][H:76])([H:77])[C@@:41]([O:42][H:74])([H:75])[O:40][C@@:39]([C:38]([O:37][H:84])([H:82])[H:83])([H:73])[C@@:47]2([O:48][H:80])[H:81])([H:54])[O:20][C@@:21]([C:22]([O:23][H:55])([H:56])[H:57])([H:58])[C@@:24]([O:25][H:59])([H:60])[C@@:26]([O:27][H:61])([H:62])[C@:28]1([O:29][H:63])[H:64]
Derived Operators
EVODEX.1-F328 - Elemental Balance
| P | -2 |
| O | -12 |
| C | -9 |
| N | -2 |
| H | -14 |
EVODEX.1-M18 - Mass Difference
-404.00222
EVODEX.1-C64 - Reaction Operator C
[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](=[#8]):[#7](-[H]):[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6@@:19].[H]-[#8:53]>>[#8:53]-[#6@@:19]
EVODEX.1-N23 - Reaction Operator N
[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](=[#8]):[#7](-[H]):[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6@@:19](-[H:61])(-[#8:20])-[#6@:26].[H]-[#8:53]-[#6@:52]>>[#8:53](-[#6@@:19](-[H:61])(-[#8:20])-[#6@:26])-[#6@:52]
EVODEX.1-Em13 - Reaction Operator Em
[#15]-[#8]-[#6:19](-[#8:20])-[#6:26].[H]-[#8:53]-[#6:52]>>[#6:19](-[#8:53]-[#6:52])(-[#8:20])-[#6:26]
EVODEX.1-Nm17 - Reaction Operator Nm
[#15]-[#8]-[#6:19](-[#8:20])-[#6:26].[H]-[#8:53]-[#6:52]>>[#6:19](-[#8:53]-[#6:52])(-[#8:20])-[#6:26]
Source Full Reactions
EVODEX.1-R3045
[O:1]=[C:2]1:[C:3]([H:49]):[C:4]([H:50]):[N:5]([C@:6]2([H:51])[O:7][C@@:8]([C:9]([O:10][P:11](=[O:12])([O:13][H:52])[O:14][P:15](=[O:16])([O:17][H:53])[O:18][C@@:19]3([H:54])[O:20][C@@:21]([C:22]([O:23][H:55])([H:56])[H:57])([H:58])[C@@:24]([O:25][H:59])([H:60])[C@@:26]([O:27][H:61])([H:62])[C@:28]3([O:29][H:63])[H:64])([H:65])[H:66])([H:67])[C@:30]([O:31][H:68])([H:69])[C@:32]2([O:33][H:70])[H:71]):[C:34](=[O:35]):[N:36]:1[H:72].[H][O:46][C@:45]1([H:79])[C@:43]([O:44][H:76])([H:77])[C@@:41]([O:42][H:74])([H:75])[O:40][C@@:39]([C:38]([O:37][H:84])([H:82])[H:83])([H:73])[C@@:47]1([O:48][H:80])[H:81]>>[C@@:19]1([O:46][C@:45]2([H:79])[C@:43]([O:44][H:76])([H:77])[C@@:41]([O:42][H:74])([H:75])[O:40][C@@:39]([C:38]([O:37][H:84])([H:82])[H:83])([H:73])[C@@:47]2([O:48][H:80])[H:81])([H:54])[O:20][C@@:21]([C:22]([O:23][H:55])([H:56])[H:57])([H:58])[C@@:24]([O:25][H:59])([H:60])[C@@:26]([O:27][H:61])([H:62])[C@:28]1([O:29][H:63])[H:64].[H][O:18][P:15]([O:14][P:11]([O:10][C:9]([C@@:8]1([H:67])[O:7][C@:6]([N:5]2:[C:4]([H:50]):[C:3]([H:49]):[C:2](=[O:1]):[N:36]([H:72]):[C:34]:2=[O:35])([H:51])[C@@:32]([O:33][H:70])([H:71])[C@@:30]1([O:31][H:68])[H:69])([H:65])[H:66])(=[O:12])[O:13][H:52])(=[O:16])[O:17][H:53]