SMIRKS
[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:50][P:51](=[O:52])([O:53][H:83])[O:54][P:55]([O:56][H:84])([O:57][H:85])=[S:58]>>[H][O:50][P:51](=[O:52])([O:53][H:83])[O:54][P:55]([O:56][H:84])([O:57][H:85])=[S:58]
Derived Operators
EVODEX.1-F123 - Elemental Balance
| P | -1 |
| O | -6 |
| C | -10 |
| N | -5 |
| H | -12 |
EVODEX.1-M64 - Mass Difference
-329.05266
EVODEX.1-E749 - Reaction Operator E
[#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])-[#8:50]-[#15:51])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H]>>[#8:50](-[#15:51])-[H]
EVODEX.1-C93 - Reaction Operator C
[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])-[#8:50]>>[H]-[#8:50]
EVODEX.1-N146 - Reaction Operator N
[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])-[#8:50]-[#15:51]>>[H]-[#8:50]-[#15:51]
EVODEX.1-Em35 - Reaction Operator Em
[#8]-[#15](=[#8])(-[#8])-[#8:50]-[#15:51]>>[H]-[#8:50]-[#15:51]
EVODEX.1-Nm37 - Reaction Operator Nm
[#8]-[#15](=[#8])(-[#8])-[#8:50]-[#15:51]>>[H]-[#8:50]-[#15:51]
Source Full Reactions
EVODEX.1-R7962
[H][O:26][P:24]([O:23][P:20]([O:19][P:16]([O:15][C:14]([C@@:13]1([H:72])[O:12][C@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:63]):[N:3]:[C:2]([N:1]([H:77])[H:78]):[C:7]:3:[N:8]:[C:9]:2[H:64])([H:65])[C@@:30]([O:31][H:75])([H:76])[C@@:28]1([O:29][H:73])[H:74])([H:70])[H:71])(=[O:17])[O:18][H:66])(=[O:21])[O:22][H:67])(=[O:25])[O:27][H:69].[N:32]([C:33]1:[N:34]:[C:35]([H:79]):[N:36]:[C:37]2:[C:38]:1:[N:39]:[C:40]([H:80]):[N:41]:2[C@:42]1([H:81])[O:43][C@@:44]([C:45]([O:46][P:47](=[O:48])([O:49][H:82])[O:50][P:51](=[O:52])([O:53][H:83])[O:54][P:55]([O:56][H:84])([O:57][H:85])=[S:58])([H:86])[H:87])([H:88])[C@:59]([O:60][H:89])([H:90])[C@:61]1([O:62][H:91])[H:92])([H:93])[H:94]>>[N:1]([C:2]1:[N:3]:[C:4]([H:63]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:64]):[N:10]:2[C@:11]1([H:65])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:66])[O:19][P:20](=[O:21])([O:22][H:67])[O:23][P:24](=[O:25])([O:26][P:47]([O:46][C:45]([C@@:44]2([H:88])[O:43][C@:42]([N:41]3:[C:37]4:[N:36]:[C:35]([H:79]):[N:34]:[C:33]([N:32]([H:93])[H:94]):[C:38]:4:[N:39]:[C:40]:3[H:80])([H:81])[C@@:61]([O:62][H:91])([H:92])[C@@:59]2([O:60][H:89])[H:90])([H:86])[H:87])(=[O:48])[O:49][H:82])[O:27][H:69])([H:70])[H:71])([H:72])[C@:28]([O:29][H:73])([H:74])[C@:30]1([O:31][H:75])[H:76])([H:77])[H:78].[H][O:50][P:51](=[O:52])([O:53][H:83])[O:54][P:55]([O:56][H:84])([O:57][H:85])=[S:58]