SMIRKS
[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):C([H]):C(=O):N([H]):C:2=O)O[C@]1([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])O[C@@:6]1([H:71])[O:5][C@@:4]([C:2](=[O:1])[O:3][H:56])([H:57])[C@:36]([O:37][H:76])([H:77])[C@@:34]([O:35][H:74])([H:75])[C@:32]1([O:33][H:72])[H:73].[H][O:53][C:52]1:[C:51]([H:83]):[C:50]([H:82]):[C:49]2:[C:55](:[C:54]:1[H:85])[C:39](=[O:38])[C:40]1:[C:41]([H:78]):[C:42]([H:79]):[C:43]([O:44][H:80]):[C:45]([H:81]):[C:46]:1[C:47]2=[O:48]>>[O:1]=[C:2]([O:3][H:56])[C@@:4]1([H:57])[O:5][C@@:6]([O:53][C:52]2:[C:51]([H:83]):[C:50]([H:82]):[C:49]3:[C:55](:[C:54]:2[H:85])[C:39](=[O:38])[C:40]2:[C:41]([H:78]):[C:42]([H:79]):[C:43]([O:44][H:80]):[C:45]([H:81]):[C:46]:2[C:47]3=[O:48])([H:71])[C@@:32]([O:33][H:72])([H:73])[C@:34]([O:35][H:74])([H:75])[C@@:36]1([O:37][H:76])[H:77]
Derived Operators
EVODEX.1-F328 - Elemental Balance
| P | -2 |
| O | -12 |
| C | -9 |
| N | -2 |
| H | -14 |
EVODEX.1-M18 - Mass Difference
-404.00222
EVODEX.1-E1110 - Reaction Operator E
[#6:10]-[#8:11]-[H].[#8]=[#6]1:[#6](-[H]):[#6](-[H]):[#7](-[#6@]2(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6@@:42](-[H:75])(-[#8:43])-[#6@:49])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-2(-[#8]-[H])-[H]):[#6](=[#8]):[#7]:1-[H]>>[#6:10]-[#8:11]-[#6@:42](-[H:75])(-[#8:43])-[#6@:49]
EVODEX.1-C1251 - Reaction Operator C
[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](=[#8]):[#7](-[H]):[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6@@:6]-[#6@:32]-[#6@@:34]-[#6@:36].[H]-[#8:53]>>[#8:53]-[#6@@:6]-[#6@@:32]-[#6@:34]-[#6@@:36]
EVODEX.1-N1554 - Reaction Operator N
[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](=[#8]):[#7](-[H]):[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6@@:6]1(-[H:71])-[#8:5]-[#6@@:4]-[#6@:36](-[#8:37])(-[H:77])-[#6@@:34](-[#8:35])(-[H:75])-[#6@:32]-1(-[#8:33])-[H:73].[H]-[#8:53]-[#6:52]>>[#8:5]1-[#6@@:4]-[#6@:36](-[#6@@:34](-[#6@:32](-[#6@:6]-1(-[#8:53]-[#6:52])-[H:71])(-[#8:33])-[H:73])(-[#8:35])-[H:75])(-[#8:37])-[H:77]
EVODEX.1-Em13 - Reaction Operator Em
[#15]-[#8]-[#6:19](-[#8:20])-[#6:26].[H]-[#8:53]-[#6:52]>>[#6:19](-[#8:53]-[#6:52])(-[#8:20])-[#6:26]
EVODEX.1-Nm17 - Reaction Operator Nm
[#15]-[#8]-[#6:19](-[#8:20])-[#6:26].[H]-[#8:53]-[#6:52]>>[#6:19](-[#8:53]-[#6:52])(-[#8:20])-[#6:26]
Source Full Reactions
EVODEX.1-R3030
[O:1]=[C:2]([O:3][H:56])[C@@:4]1([H:57])[O:5][C@@:6]([O:7][P:8](=[O:9])([O:10][H:58])[O:11][P:12](=[O:13])([O:14][H:59])[O:15][C:16]([C@@:17]2([H:60])[O:18][C@:19]([N:20]3:[C:21]([H:61]):[C:22]([H:62]):[C:23](=[O:24]):[N:25]([H:63]):[C:26]:3=[O:27])([H:64])[C@@:28]([O:29][H:65])([H:66])[C@@:30]2([O:31][H:67])[H:68])([H:69])[H:70])([H:71])[C@@:32]([O:33][H:72])([H:73])[C@:34]([O:35][H:74])([H:75])[C@@:36]1([O:37][H:76])[H:77].[H][O:53][C:52]1:[C:51]([H:83]):[C:50]([H:82]):[C:49]2:[C:55](:[C:54]:1[H:85])[C:39](=[O:38])[C:40]1:[C:41]([H:78]):[C:42]([H:79]):[C:43]([O:44][H:80]):[C:45]([H:81]):[C:46]:1[C:47]2=[O:48]>>[O:1]=[C:2]([O:3][H:56])[C@@:4]1([H:57])[O:5][C@@:6]([O:53][C:52]2:[C:51]([H:83]):[C:50]([H:82]):[C:49]3:[C:55](:[C:54]:2[H:85])[C:39](=[O:38])[C:40]2:[C:41]([H:78]):[C:42]([H:79]):[C:43]([O:44][H:80]):[C:45]([H:81]):[C:46]:2[C:47]3=[O:48])([H:71])[C@@:32]([O:33][H:72])([H:73])[C@:34]([O:35][H:74])([H:75])[C@@:36]1([O:37][H:76])[H:77].[H][O:7][P:8](=[O:9])([O:10][H:58])[O:11][P:12](=[O:13])([O:14][H:59])[O:15][C:16]([C@@:17]1([H:60])[O:18][C@:19]([N:20]2:[C:21]([H:61]):[C:22]([H:62]):[C:23](=[O:24]):[N:25]([H:63]):[C:26]:2=[O:27])([H:64])[C@@:28]([O:29][H:65])([H:66])[C@@:30]1([O:31][H:67])[H:68])([H:69])[H:70]