SMIRKS
[H][O:18][P:16]([O:15][C:14]([C@@:13]1([H:62])[O:12][C@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:55]):[N:3]:[C:2]([N:1]([H:68])[H:69]):[C:7]:3:[N:8]:[C:9]:2[H:56])([H:57])[C@@:26]([O:27][H:66])([H:67])[C@@:20]1([O:21][P:22](=[O:23])([O:24][H:63])[O:25][H:64])[H:65])([H:60])[H:61])(=[O:17])[O:19][H:59].[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:47](=[O:48])([O:49][H:74])[O:50][H:75]>>[N:1]([C:2]1:[N:3]:[C:4]([H:55]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:56]):[N:10]:2[C@:11]1([H:57])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][P:47](=[O:48])([O:49][H:74])[O:50][H:75])[O:19][H:59])([H:60])[H:61])([H:62])[C@:20]([O:21][P:22](=[O:23])([O:24][H:63])[O:25][H:64])([H:65])[C@:26]1([O:27][H:66])[H:67])([H:68])[H:69]
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-R4351
[H][O:18][P:16]([O:15][C:14]([C@@:13]1([H:62])[O:12][C@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:55]):[N:3]:[C:2]([N:1]([H:68])[H:69]):[C:7]:3:[N:8]:[C:9]:2[H:56])([H:57])[C@@:26]([O:27][H:66])([H:67])[C@@:20]1([O:21][P:22](=[O:23])([O:24][H:63])[O:25][H:64])[H:65])([H:60])[H:61])(=[O:17])[O:19][H:59].[N:28]([C:29]1:[N:30]:[C:31]([H:70]):[N:32]:[C:33]2:[C:34]:1:[N:35]:[C:36]([H:71]):[N:37]:2[C@:38]1([H:72])[O:39][C@@:40]([C:41]([O:42][P:43](=[O:44])([O:45][H:73])[O:46][P:47](=[O:48])([O:49][H:74])[O:50][H:75])([H:76])[H:77])([H:78])[C@:51]([O:52][H:79])([H:80])[C@:53]1([O:54][H:81])[H:82])([H:83])[H:84]>>[N:1]([C:2]1:[N:3]:[C:4]([H:55]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:56]):[N:10]:2[C@:11]1([H:57])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][P:47](=[O:48])([O:49][H:74])[O:50][H:75])[O:19][H:59])([H:60])[H:61])([H:62])[C@:20]([O:21][P:22](=[O:23])([O:24][H:63])[O:25][H:64])([H:65])[C@:26]1([O:27][H:66])[H:67])([H:68])[H:69].[H][O:46][P:43]([O:42][C:41]([C@@:40]1([H:78])[O:39][C@:38]([N:37]2:[C:33]3:[N:32]:[C:31]([H:70]):[N:30]:[C:29]([N:28]([H:83])[H:84]):[C:34]:3:[N:35]:[C:36]:2[H:71])([H:72])[C@@:53]([O:54][H:81])([H:82])[C@@:51]1([O:52][H:79])[H:80])([H:76])[H:77])(=[O:44])[O:45][H:73]