SMIRKS
[O:49]=[C:50]1[C:51]([H:87])([H:88])[C:52]([H:89])([H:90])[C:53]([H:91])([H:92])[C:54]1([H:93])[H:94].O=[O:56]>>[O:49]=[C:50]1[C:54]([H:93])([H:94])[C:53]([H:91])([H:92])[C:52]([H:89])([H:90])[C:51]([H:87])([H:88])[O:56]1
Derived Operators
EVODEX.1-M9 - Mass Difference
-15.9949
EVODEX.1-E446 - Reaction Operator E
[#8:49]=[#6:50](-[#6:51](-[H:91])(-[H:92])-[#6:52])-[#6:58].[#8]=[#8:60]>>[#8:49]=[#6:50](-[#6:58])-[#8:60]-[#6:51](-[#6:52])(-[H:91])-[H:92]
EVODEX.1-N180 - Reaction Operator N
[#6:1]-[#6:2](=[#8:3])-[#6:4](-[#6:5])(-[H:66])-[H:67].[#8]=[#8:60]>>[#6:1]-[#6:2](=[#8:3])-[#8:60]-[#6:4](-[#6:5])(-[H:66])-[H:67]
EVODEX.1-Em262 - Reaction Operator Em
[#6:1]-[#6:2](=[#8:3])-[#6:4]-[#6:5].[#8]=[#8:60]>>[#6:1]-[#6:2](=[#8:3])-[#8:60]-[#6:4]-[#6:5]
EVODEX.1-Nm260 - Reaction Operator Nm
[#6:1]-[#6:2](=[#8:3])-[#6:4]-[#6:5].[#8]=[#8:60]>>[#6:1]-[#6:2](=[#8:3])-[#8:60]-[#6:4]-[#6:5]
Source Full Reactions
EVODEX.1-R419
[HH].[H][C:48]1([H:83])[C:4]([C:2]([N:1]([H:85])[H:86])=[O:3])=[C:5]([H:57])[N:6]([C@:7]2([H:58])[O:8][C@@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:59])[O:15][P:16](=[O:17])([O:18][H:60])[O:19][C:20]([C@@:21]3([H:61])[O:22][C@:23]([N:24]4:[C:25]([H:62]):[N:26]:[C:27]5:[C:28]([N:29]([H:63])[H:64]):[N:30]:[C:31]([H:65]):[N:32]:[C:33]:4:5)([H:66])[C@@:34]([O:35][P:36](=[O:37])([O:38][H:67])[O:39][H:68])([H:69])[C@@:40]3([O:41][H:70])[H:71])([H:72])[H:73])([H:74])[H:75])([H:76])[C@:42]([O:43][H:77])([H:78])[C@:44]2([O:45][H:79])[H:80])[C:46]([H:81])=[C:47]1[H:82].[O:49]=[C:50]1[C:51]([H:87])([H:88])[C:52]([H:89])([H:90])[C:53]([H:91])([H:92])[C:54]1([H:93])[H:94].[O:55]=[O:56]>>[N:1]([C:2](=[O:3])[C:4]1:[C:5]([H:57]):[N+:6]([C@:7]2([H:58])[O:8][C@@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:59])[O:15][P:16](=[O:17])([O:18][H:60])[O:19][C:20]([C@@:21]3([H:61])[O:22][C@:23]([N:24]4:[C:25]([H:62]):[N:26]:[C:27]5:[C:28]([N:29]([H:63])[H:64]):[N:30]:[C:31]([H:65]):[N:32]:[C:33]:4:5)([H:66])[C@@:34]([O:35][P:36](=[O:37])([O:38][H:67])[O:39][H:68])([H:69])[C@@:40]3([O:41][H:70])[H:71])([H:72])[H:73])([H:74])[H:75])([H:76])[C@:42]([O:43][H:77])([H:78])[C@:44]2([O:45][H:79])[H:80]):[C:46]([H:81]):[C:47]([H:82]):[C:48]:1[H:83])([H:85])[H:86].[O:49]=[C:50]1[C:54]([H:93])([H:94])[C:53]([H:91])([H:92])[C:52]([H:89])([H:90])[C:51]([H:87])([H:88])[O:56]1.[H][O:55][H]