SMIRKS
[N:1](=[C:2]1:[N:3]([H:69]):[C:4](=[O:5]):[N:6]([C@@:7]2([H:70])[C:8]([H:71])([H:72])[C@@:9]([O:10][H:73])([H:74])[C@:11]([C:12]([O:13][P:14](=[O:15])([O:16][H:75])[O:17][P:18](=[O:19])([O:20][H:76])[O:21][H:77])([H:78])[H:79])([H:80])[O:22]2):[C:23]([H:81]):[C:24]:1[C:25]([O:26][H:82])([H:83])[H:84])[H:85]>>[H][O:17][P:14]([O:13][C:12]([C@:11]1([H:80])[C@:9]([O:10][H:73])([H:74])[C:8]([H:71])([H:72])[C@@:7]([N:6]2:[C:4](=[O:5]):[N:3]([H:69]):[C:2](=[N:1][H:85]):[C:24]([C:25]([O:26][H:82])([H:83])[H:84]):[C:23]:2[H:81])([H:70])[O:22]1)([H:78])[H:79])(=[O:15])[O:16][H:75].[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:18](=[O:19])([O:20][H:76])[O:21][H:77]
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-R4232
[H][O:48][P:46]([O:45][P:42]([O:41][C:40]([C@@:39]1([H:62])[O:38][C@:37]([N:36]2:[C:32]3:[N:31]:[C:30]([H:54]):[N:29]:[C:28]([N:27]([H:67])[H:68]):[C:33]:3:[N:34]:[C:35]:2[H:55])([H:56])[C@@:52]([O:53][H:65])([H:66])[C@@:50]1([O:51][H:63])[H:64])([H:60])[H:61])(=[O:43])[O:44][H:57])(=[O:47])[O:49][H:59].[N:1](=[C:2]1:[N:3]([H:69]):[C:4](=[O:5]):[N:6]([C@@:7]2([H:70])[C:8]([H:71])([H:72])[C@@:9]([O:10][H:73])([H:74])[C@:11]([C:12]([O:13][P:14](=[O:15])([O:16][H:75])[O:17][P:18](=[O:19])([O:20][H:76])[O:21][H:77])([H:78])[H:79])([H:80])[O:22]2):[C:23]([H:81]):[C:24]:1[C:25]([O:26][H:82])([H:83])[H:84])[H:85]>>[H][O:17][P:14]([O:13][C:12]([C@:11]1([H:80])[C@:9]([O:10][H:73])([H:74])[C:8]([H:71])([H:72])[C@@:7]([N:6]2:[C:4](=[O:5]):[N:3]([H:69]):[C:2](=[N:1][H:85]):[C:24]([C:25]([O:26][H:82])([H:83])[H:84]):[C:23]:2[H:81])([H:70])[O:22]1)([H:78])[H:79])(=[O:15])[O:16][H:75].[P:18](=[O:19])([O:20][H:76])([O:21][H:77])[O:48][P:46]([O:45][P:42]([O:41][C:40]([C@@:39]1([H:62])[O:38][C@:37]([N:36]2:[C:32]3:[N:31]:[C:30]([H:54]):[N:29]:[C:28]([N:27]([H:67])[H:68]):[C:33]:3:[N:34]:[C:35]:2[H:55])([H:56])[C@@:52]([O:53][H:65])([H:66])[C@@:50]1([O:51][H:63])[H:64])([H:60])[H:61])(=[O:43])[O:44][H:57])(=[O:47])[O:49][H:59]