SMIRKS
[H][O:21][P:18]([O:17][C:16]([C@:15]1([H:82])[C:13]([S:14][H:77])=[C:11]([S:12][H:76])[C@:10]2([H:75])[N:9]([H:74])[C:5]3:[C:4](:[N:3]([H:72]):[C:2](=[N:1][H:85]):[N:8]([H:73]):[C:6]:3=[O:7])[N:24]([H:84])[C@:23]2([H:83])[O:22]1)([H:80])[H:81])(=[O:19])[O:20][H:78]>>[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:21][P:18]([O:17][C:16]([C@:15]1([H:82])[C:13]([S:14][H:77])=[C:11]([S:12][H:76])[C@:10]2([H:75])[N:9]([H:74])[C:5]3:[C:4](:[N:3]([H:72]):[C:2](=[N:1][H:85]):[N:8]([H:73]):[C:6]:3=[O:7])[N:24]([H:84])[C@:23]2([H:83])[O:22]1)([H:80])[H:81])(=[O:19])[O:20][H:78]
Derived Operators
EVODEX.1-F116 - Elemental Balance
| P | 1 |
| O | 6 |
| C | 10 |
| N | 5 |
| H | 12 |
EVODEX.1-M34 - Mass Difference
329.05266
EVODEX.1-E733 - Reaction Operator E
[#15:15]-[#8:17]-[H]>>[#15:15]-[#8:17]-[#15](-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6@](-[#7]2:[#6]3:[#7]:[#6](-[H]):[#7]:[#6](-[#7](-[H])-[H]):[#6]:3:[#7]:[#6]:2-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H])(-[H])-[H])(=[#8])-[#8]-[H]
EVODEX.1-C128 - Reaction Operator C
[H]-[#8:27]>>[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])-[#8:27]
EVODEX.1-N576 - Reaction Operator N
[H]-[#8:27]-[#15:25]>>[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])-[#8:27]-[#15:25]
EVODEX.1-Em28 - Reaction Operator Em
[H]-[#8:27]-[#15:25]>>[#8]-[#15](=[#8])(-[#8])-[#8:27]-[#15:25]
EVODEX.1-Nm28 - Reaction Operator Nm
[H]-[#8:27]-[#15:25]>>[#8]-[#15](=[#8])(-[#8])-[#8:27]-[#15:25]
Source Full Reactions
EVODEX.1-R4494
[N:25]([C:26]1:[N:27]:[C:28]([H:56]):[N:29]:[C:30]2:[C:31]:1:[N:32]:[C:33]([H:57]):[N:34]:2[C@:35]1([H:58])[O:36][C@@:37]([C:38]([O:39][P:40](=[O:41])([O:42][H:59])[O:43][P:44](=[O:45])([O:46][H:60])[O:47][P:48](=[O:49])([O:50][H:61])[O:51][H:62])([H:63])[H:64])([H:65])[C@:52]([O:53][H:66])([H:67])[C@:54]1([O:55][H:68])[H:69])([H:70])[H:71].[H][O:21][P:18]([O:17][C:16]([C@:15]1([H:82])[C:13]([S:14][H:77])=[C:11]([S:12][H:76])[C@:10]2([H:75])[N:9]([H:74])[C:5]3:[C:4](:[N:3]([H:72]):[C:2](=[N:1][H:85]):[N:8]([H:73]):[C:6]:3=[O:7])[N:24]([H:84])[C@:23]2([H:83])[O:22]1)([H:80])[H:81])(=[O:19])[O:20][H:78]>>[N:1](=[C:2]1:[N:3]([H:72]):[C:4]2:[C:5](:[C:6](=[O:7]):[N:8]:1[H:73])[N:9]([H:74])[C@@:10]1([H:75])[C:11]([S:12][H:76])=[C:13]([S:14][H:77])[C@:15]([C:16]([O:17][P:18](=[O:19])([O:20][H:78])[O:21][P:40]([O:39][C:38]([C@@:37]3([H:65])[O:36][C@:35]([N:34]4:[C:30]5:[N:29]:[C:28]([H:56]):[N:27]:[C:26]([N:25]([H:70])[H:71]):[C:31]:5:[N:32]:[C:33]:4[H:57])([H:58])[C@@:54]([O:55][H:68])([H:69])[C@@:52]3([O:53][H:66])[H:67])([H:63])[H:64])(=[O:41])[O:42][H:59])([H:80])[H:81])([H:82])[O:22][C@@:23]1([H:83])[N:24]2[H:84])[H:85].[H][O:43][P:44](=[O:45])([O:46][H:60])[O:47][P:48](=[O:49])([O:50][H:61])[O:51][H:62]