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[P:48](=[O:49])([O:50][H:60])[O:51][H:61].[H][O:17][P:15]([O:14][C:13]([C@@:12]1([H:78])[O:11][C@:10]([N:9]2:[C:8]([H:72]):[N:7]:[C:6]3:[C:4](=[O:5]):[N:3]([H:71]):[C:2](=[N:1][H:85]):[N:28]([H:84]):[C:27]:3:2)([H:73])[C@@:25]([O:26][H:82])([H:83])[C@@:19]1([O:20][P:21](=[O:22])([O:23][H:79])[O:24][H:80])[H:81])([H:76])[H:77])(=[O:16])[O:18][H:75]>>[N:1](=[C:2]1:[N:3]([H:71]):[C:4](=[O:5]):[C:6]2:[N:7]:[C:8]([H:72]):[N:9]([C@:10]3([H:73])[O:11][C@@:12]([C:13]([O:14][P:15](=[O:16])([O:17][P:48](=[O:49])([O:50][H:60])[O:51][H:61])[O:18][H:75])([H:76])[H:77])([H:78])[C@:19]([O:20][P:21](=[O:22])([O:23][H:79])[O:24][H:80])([H:81])[C@:25]3([O:26][H:82])[H:83]):[C:27]:2:[N:28]:1[H:84])[H:85]
Derived Operators
EVODEX.1-F113 - Elemental Balance
| P | -1 |
| O | -7 |
| C | -10 |
| N | -5 |
| H | -14 |
EVODEX.1-M24 - Mass Difference
-347.06321999999994
EVODEX.1-E723 - 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]-[#15:48](=[#8:49])(-[#8:50])-[#8:51])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H].[#15:15]-[#8:17]-[H]>>[#15:15]-[#8:17]-[#15:48](=[#8:49])(-[#8:50])-[#8:51]
EVODEX.1-C472 - 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]-[#15:48].([H]-[#8:17].[#6@@:25]-[#6@@:19])>>([#8:17]-[#15:48].[#6@:19]-[#6@:25])
EVODEX.1-N1232 - 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]-[#15:48](=[#8:49])(-[#8:50])-[#8:51].([H]-[#8:17]-[#15:15].[#8:26]-[#6@:25](-[#6@:10])(-[H:83])-[#6@@:19](-[#6@@:12])(-[#8:20])-[H:81])>>([#15:15]-[#8:17]-[#15:48](=[#8:49])(-[#8:50])-[#8:51].[#8:20]-[#6@@:19](-[#6@@:12])(-[H:81])-[#6@:25](-[#6@:10])(-[#8:26])-[H:83])
EVODEX.1-Em31 - Reaction Operator Em
[H]-[#8:27]-[#15:25].[#15]-[#8]-[#15:44](-[#8:43])(=[#8:45])-[#8:46]>>[#15:25]-[#8:27]-[#15:44](-[#8:43])(=[#8:45])-[#8:46]
EVODEX.1-Nm32 - Reaction Operator Nm
[H]-[#8:27]-[#15:25].[#15]-[#8]-[#15:44](-[#8:43])(=[#8:45])-[#8:46]>>[#15:25]-[#8:27]-[#15:44](-[#8:43])(=[#8:45])-[#8:46]
Source Full Reactions
EVODEX.1-R4353
[N:29]([C:30]1:[N:31]:[C:32]([H:56]):[N:33]:[C:34]2:[C:35]:1:[N:36]:[C:37]([H:57]):[N:38]:2[C@:39]1([H:58])[O:40][C@@:41]([C:42]([O:43][P:44](=[O:45])([O:46][H:59])[O:47][P:48](=[O:49])([O:50][H:60])[O:51][H:61])([H:62])[H:63])([H:64])[C@:52]([O:53][H:65])([H:66])[C@:54]1([O:55][H:67])[H:68])([H:69])[H:70].[H][O:17][P:15]([O:14][C:13]([C@@:12]1([H:78])[O:11][C@:10]([N:9]2:[C:8]([H:72]):[N:7]:[C:6]3:[C:4](=[O:5]):[N:3]([H:71]):[C:2](=[N:1][H:85]):[N:28]([H:84]):[C:27]:3:2)([H:73])[C@@:25]([O:26][H:82])([H:83])[C@@:19]1([O:20][P:21](=[O:22])([O:23][H:79])[O:24][H:80])[H:81])([H:76])[H:77])(=[O:16])[O:18][H:75]>>[H][O:47][P:44]([O:43][C:42]([C@@:41]1([H:64])[O:40][C@:39]([N:38]2:[C:34]3:[N:33]:[C:32]([H:56]):[N:31]:[C:30]([N:29]([H:69])[H:70]):[C:35]:3:[N:36]:[C:37]:2[H:57])([H:58])[C@@:54]([O:55][H:67])([H:68])[C@@:52]1([O:53][H:65])[H:66])([H:62])[H:63])(=[O:45])[O:46][H:59].[N:1](=[C:2]1:[N:3]([H:71]):[C:4](=[O:5]):[C:6]2:[N:7]:[C:8]([H:72]):[N:9]([C@:10]3([H:73])[O:11][C@@:12]([C:13]([O:14][P:15](=[O:16])([O:17][P:48](=[O:49])([O:50][H:60])[O:51][H:61])[O:18][H:75])([H:76])[H:77])([H:78])[C@:19]([O:20][P:21](=[O:22])([O:23][H:79])[O:24][H:80])([H:81])[C@:25]3([O:26][H:82])[H:83]):[C:27]:2:[N:28]:1[H:84])[H:85]