SMIRKS
[C:16]([C:17]1:[C:18]([H:58]):[C:19]([C:20](=[O:21])[O:22][H:59]):[C:23]([H:60]):[C:24]([H:61]):[C:25]:1[O:26][H:62])([H:63])([H:64])[H:65].[H][N:11]([C:10]1:[C:8]([O:9][H:69]):[C:7]2:[C:6]([H:68]):[C:5]([H:67]):[C:3]([O:4][H:66]):[C:2]([C:1]([H:72])([H:73])[H:74]):[C:15]:2:[O:14]:[C:12]:1=[O:13])[H:70].[H]OP(=O)(O[H])OP(=O)(O[H])O[P:42]([O:41][C:40]([C@@:39]1([H:84])[O:38][C@:37]([N:36]2:[C:32]3:[N:31]:[C:30]([H:75]):[N:29]:[C:28]([N:27]([H:89])[H:90]):[C:33]:3:[N:34]:[C:35]:2[H:76])([H:77])[C@@:56]([O:57][H:87])([H:88])[C@@:54]1([O:55][H:85])[H:86])([H:82])[H:83])(=[O:43])[O:44][H:78]>>[C:1]([C:2]1:[C:3]([O:4][H:66]):[C:5]([H:67]):[C:6]([H:68]):[C:7]2:[C:8]([O:9][H:69]):[C:10]([N:11]([C:20]([C:19]3:[C:18]([H:58]):[C:17]([C:16]([H:63])([H:64])[H:65]):[C:25]([O:26][H:62]):[C:24]([H:61]):[C:23]:3[H:60])=[O:21])[H:70]):[C:12](=[O:13]):[O:14]:[C:15]:1:2)([H:72])([H:73])[H:74].[O:22]([P:42]([O:41][C:40]([C@@:39]1([H:84])[O:38][C@:37]([N:36]2:[C:32]3:[N:31]:[C:30]([H:75]):[N:29]:[C:28]([N:27]([H:89])[H:90]):[C:33]:3:[N:34]:[C:35]:2[H:76])([H:77])[C@@:56]([O:57][H:87])([H:88])[C@@:54]1([O:55][H:85])[H:86])([H:82])[H:83])(=[O:43])[O:44][H:78])[H:59]
Derived Operators
EVODEX.1-F111 - Elemental Balance
| P | -2 |
| O | -7 |
| H | -4 |
EVODEX.1-M8 - Mass Difference
-177.94322
EVODEX.1-E704 - Reaction Operator E
[#7:17](-[#6:18])(-[H:61])-[H].[#6:10]-[#6:11](=[#8:12])-[#8:13]-[H:64].([#8:38]-[#15:39](=[#8:40])(-[#8:41])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H].[#8:52]-[#6@@:51](-[#6@@:36])(-[H:88])-[#6@:53](-[#6@:34])(-[#8:54])-[H:90])>>[#6:10]-[#6:11](=[#8:12])-[#7:17](-[#6:18])-[H:61].([#8:13](-[#15:39](-[#8:38])(=[#8:40])-[#8:41])-[H:64].[#8:54]-[#6@:53](-[#6@:34])(-[H:90])-[#6@@:51](-[#6@@:36])(-[#8:52])-[H:88])
EVODEX.1-C789 - Reaction Operator C
[#6:17]-[#8:19].[H]-[#7:20].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:42]>>[#6:17]-[#7:20].[#8:19]-[#15:42]
EVODEX.1-N1000 - Reaction Operator N
[#6:16]-[#6:17](=[#8:18])-[#8:19]-[H:66].[H]-[#7:20](-[#6@@:21])-[H:81].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:42](-[#8:41])(=[#8:43])-[#8:44]>>[#6:16]-[#6:17](=[#8:18])-[#7:20](-[#6@@:21])-[H:81].[#8:19](-[#15:42](-[#8:41])(=[#8:43])-[#8:44])-[H:66]
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-R7528
[C:16]([C:17]1:[C:18]([H:58]):[C:19]([C:20](=[O:21])[O:22][H:59]):[C:23]([H:60]):[C:24]([H:61]):[C:25]:1[O:26][H:62])([H:63])([H:64])[H:65].[H][N:11]([C:10]1:[C:8]([O:9][H:69]):[C:7]2:[C:6]([H:68]):[C:5]([H:67]):[C:3]([O:4][H:66]):[C:2]([C:1]([H:72])([H:73])[H:74]):[C:15]:2:[O:14]:[C:12]:1=[O:13])[H:70].[N:27]([C:28]1:[N:29]:[C:30]([H:75]):[N:31]:[C:32]2:[C:33]:1:[N:34]:[C:35]([H:76]):[N:36]:2[C@:37]1([H:77])[O:38][C@@:39]([C:40]([O:41][P:42](=[O:43])([O:44][H:78])[O:45][P:46](=[O:47])([O:48][H:79])[O:49][P:50](=[O:51])([O:52][H:80])[O:53][H:81])([H:82])[H:83])([H:84])[C@:54]([O:55][H:85])([H:86])[C@:56]1([O:57][H:87])[H:88])([H:89])[H:90]>>[C:1]([C:2]1:[C:3]([O:4][H:66]):[C:5]([H:67]):[C:6]([H:68]):[C:7]2:[C:8]([O:9][H:69]):[C:10]([N:11]([C:20]([C:19]3:[C:18]([H:58]):[C:17]([C:16]([H:63])([H:64])[H:65]):[C:25]([O:26][H:62]):[C:24]([H:61]):[C:23]:3[H:60])=[O:21])[H:70]):[C:12](=[O:13]):[O:14]:[C:15]:1:2)([H:72])([H:73])[H:74].[O:22]([P:42]([O:41][C:40]([C@@:39]1([H:84])[O:38][C@:37]([N:36]2:[C:32]3:[N:31]:[C:30]([H:75]):[N:29]:[C:28]([N:27]([H:89])[H:90]):[C:33]:3:[N:34]:[C:35]:2[H:76])([H:77])[C@@:56]([O:57][H:87])([H:88])[C@@:54]1([O:55][H:85])[H:86])([H:82])[H:83])(=[O:43])[O:44][H:78])[H:59].[H][O:45][P:46](=[O:47])([O:48][H:79])[O:49][P:50](=[O:51])([O:52][H:80])[O:53][H:81]