SMIRKS
[H][N:5]([C@@:4]([C@@:2]([C:1]([H:59])([H:60])[H:61])([O:3][H:53])[H:58])([C:6](=[O:7])[O:8][H:56])[H:57])[H:54].[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])OP(=O)(O[H])O[P:45](=[O:46])([O:47][H:67])[O:48][H:68].[N:9]([C@@:10]([C:11]([C:12]1:[C:13]([H:78]):[C:14]([H:79]):[C:15]([O:16][H:80]):[C:17]([H:81]):[C:18]:1[H:82])([H:83])[H:84])([C:19](=[O:20])[O:21][H:85])[H:86])([H:87])[H:88]>>[C:1]([C@@:2]([O:3][H:53])([C@:4]([N:5]([C:19]([C@@:10]([N:9]([H:87])[H:88])([C:11]([C:12]1:[C:13]([H:78]):[C:14]([H:79]):[C:15]([O:16][H:80]):[C:17]([H:81]):[C:18]:1[H:82])([H:83])[H:84])[H:86])=[O:20])[H:54])([C:6](=[O:7])[O:8][H:56])[H:57])[H:58])([H:59])([H:60])[H:61].[O:21]([P:45](=[O:46])([O:47][H:67])[O:48][H:68])[H:85]
Derived Operators
EVODEX.1-F125 - Elemental Balance
| P | -2 |
| O | -10 |
| C | -10 |
| N | -5 |
| H | -15 |
EVODEX.1-M11 - Mass Difference
-427.02955
EVODEX.1-E765 - Reaction Operator E
[#6:46](-[#6@@:44])(=[#8:47])-[#8:48]-[H:119].[#7:49](-[#6@@:50])(-[H:135])-[H].[#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](=[#8])(-[#8]-[H])-[#8]-[#15:82](=[#8:83])(-[#8:84])-[#8:85])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H]>>[#6:46](-[#6@@:44])(=[#8:47])-[#7:49](-[#6@@:50])-[H:135].[#8:48](-[#15:82](=[#8:83])(-[#8:84])-[#8:85])-[H:119]
EVODEX.1-C1483 - Reaction Operator C
[H]-[#7:5]-[#6@@:4].[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](=[#8])(-[#8]-[H])-[#8]-[#15:45].[#6:19]-[#8:21]>>[#7:5](-[#6@:4])-[#6:19].[#8:21]-[#15:45]
EVODEX.1-N1900 - Reaction Operator N
[H]-[#7:5](-[#6@@:4](-[#6@@:2])(-[#6:6])-[H:57])-[H:54].[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](=[#8])(-[#8]-[H])-[#8]-[#15:45](=[#8:46])(-[#8:47])-[#8:48].[#6:19](-[#6@@:10])(=[#8:20])-[#8:21]-[H:85]>>[#7:5](-[#6@@:4](-[#6@@:2])(-[#6:6])-[H:57])(-[#6:19](-[#6@@:10])=[#8:20])-[H:54].[#8:21](-[#15:45](=[#8:46])(-[#8:47])-[#8:48])-[H:85]
EVODEX.1-Em34 - Reaction Operator Em
[#6:40]-[#6:42](=[#8:43])-[#8:44].[H]-[#7:47]-[#6:46].[#15]-[#8]-[#15:72](-[#8:71])(=[#8:73])-[#8:74]>>[#6:40]-[#6:42](=[#8:43])-[#7:47]-[#6:46].[#8:44]-[#15:72](-[#8:71])(=[#8:73])-[#8:74]
EVODEX.1-Cm50 - Reaction Operator Cm
[#6:42]-[#8:44].[H]-[#7:47].[#8]-[#15:72]>>[#6:42]-[#7:47].[#8:44]-[#15:72]
EVODEX.1-Nm35 - Reaction Operator Nm
[#6:40]-[#6:42](=[#8:43])-[#8:44].[H]-[#7:47]-[#6:46].[#15]-[#8]-[#15:72](-[#8:71])(=[#8:73])-[#8:74]>>[#6:40]-[#6:42](=[#8:43])-[#7:47]-[#6:46].[#8:44]-[#15:72](-[#8:71])(=[#8:73])-[#8:74]
Source Full Reactions
EVODEX.1-R7821
[H][N:5]([C@@:4]([C@@:2]([C:1]([H:59])([H:60])[H:61])([O:3][H:53])[H:58])([C:6](=[O:7])[O:8][H:56])[H:57])[H:54].[N:22]([C:23]1:[N:24]:[C:25]([H:62]):[N:26]:[C:27]2:[C:28]:1:[N:29]:[C:30]([H:63]):[N:31]:2[C@:32]1([H:64])[O:33][C@@:34]([C:35]([O:36][P:37](=[O:38])([O:39][H:65])[O:40][P:41](=[O:42])([O:43][H:66])[O:44][P:45](=[O:46])([O:47][H:67])[O:48][H:68])([H:69])[H:70])([H:71])[C@:49]([O:50][H:72])([H:73])[C@:51]1([O:52][H:74])[H:75])([H:76])[H:77].[N:9]([C@@:10]([C:11]([C:12]1:[C:13]([H:78]):[C:14]([H:79]):[C:15]([O:16][H:80]):[C:17]([H:81]):[C:18]:1[H:82])([H:83])[H:84])([C:19](=[O:20])[O:21][H:85])[H:86])([H:87])[H:88]>>[C:1]([C@@:2]([O:3][H:53])([C@:4]([N:5]([C:19]([C@@:10]([N:9]([H:87])[H:88])([C:11]([C:12]1:[C:13]([H:78]):[C:14]([H:79]):[C:15]([O:16][H:80]):[C:17]([H:81]):[C:18]:1[H:82])([H:83])[H:84])[H:86])=[O:20])[H:54])([C:6](=[O:7])[O:8][H:56])[H:57])[H:58])([H:59])([H:60])[H:61].[H][O:44][P:41]([O:40][P:37]([O:36][C:35]([C@@:34]1([H:71])[O:33][C@:32]([N:31]2:[C:27]3:[N:26]:[C:25]([H:62]):[N:24]:[C:23]([N:22]([H:76])[H:77]):[C:28]:3:[N:29]:[C:30]:2[H:63])([H:64])[C@@:51]([O:52][H:74])([H:75])[C@@:49]1([O:50][H:72])[H:73])([H:69])[H:70])(=[O:38])[O:39][H:65])(=[O:42])[O:43][H:66].[O:21]([P:45](=[O:46])([O:47][H:67])[O:48][H:68])[H:85]