SMIRKS
[O:49]=[C:50]1[C:51]([H:88])([H:89])[C:52]([H:90])([H:91])[C:53]([H:92])([H:93])[C:54]([H:94])([H:95])[C:55]1([H:96])[H:97]>>O1[C:50](=[O:49])[C:55]([H:96])([H:97])[C:54]([H:94])([H:95])[C:53]([H:92])([H:93])[C:52]([H:90])([H:91])[C:51]1([H:88])[H:89]
Derived Operators
EVODEX.1-M6 - Mass Difference
15.9949
EVODEX.1-E422 - Reaction Operator E
[#8:49]=[#6:50](-[#6:51](-[H:91])(-[H:92])-[#6:52])-[#6:58]>>[#8:49]=[#6:50](-[#6:58])-[#8]-[#6:51](-[#6:52])(-[H:91])-[H:92]
EVODEX.1-N182 - Reaction Operator N
[#8:49]=[#6:50](-[#6:51](-[H:94])(-[H:95])-[#6:52])-[#6:55]>>[#8](-[#6:50](=[#8:49])-[#6:55])-[#6:51](-[#6:52])(-[H:94])-[H:95]
EVODEX.1-Em264 - Reaction Operator Em
[#8:49]=[#6:50](-[#6:51]-[#6:52])-[#6:55]>>[#8](-[#6:50](=[#8:49])-[#6:55])-[#6:51]-[#6:52]
EVODEX.1-Nm262 - Reaction Operator Nm
[#8:49]=[#6:50](-[#6:51]-[#6:52])-[#6:55]>>[#8](-[#6:50](=[#8:49])-[#6:55])-[#6:51]-[#6:52]
Source Full Reactions
EVODEX.1-R421
[HH].[H][C:48]1([H:84])[C:4]([C:2]([N:1]([H:86])[H:87])=[O:3])=[C:5]([H:58])[N:6]([C@:7]2([H:59])[O:8][C@@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:60])[O:15][P:16](=[O:17])([O:18][H:61])[O:19][C:20]([C@@:21]3([H:62])[O:22][C@:23]([N:24]4:[C:25]([H:63]):[N:26]:[C:27]5:[C:28]([N:29]([H:64])[H:65]):[N:30]:[C:31]([H:66]):[N:32]:[C:33]:4:5)([H:67])[C@@:34]([O:35][P:36](=[O:37])([O:38][H:68])[O:39][H:69])([H:70])[C@@:40]3([O:41][H:71])[H:72])([H:73])[H:74])([H:75])[H:76])([H:77])[C@:42]([O:43][H:78])([H:79])[C@:44]2([O:45][H:80])[H:81])[C:46]([H:82])=[C:47]1[H:83].[O:49]=[C:50]1[C:51]([H:88])([H:89])[C:52]([H:90])([H:91])[C:53]([H:92])([H:93])[C:54]([H:94])([H:95])[C:55]1([H:96])[H:97].[O:56]=[O:57]>>[N:1]([C:2](=[O:3])[C:4]1:[C:5]([H:58]):[N+:6]([C@:7]2([H:59])[O:8][C@@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:60])[O:15][P:16](=[O:17])([O:18][H:61])[O:19][C:20]([C@@:21]3([H:62])[O:22][C@:23]([N:24]4:[C:25]([H:63]):[N:26]:[C:27]5:[C:28]([N:29]([H:64])[H:65]):[N:30]:[C:31]([H:66]):[N:32]:[C:33]:4:5)([H:67])[C@@:34]([O:35][P:36](=[O:37])([O:38][H:68])[O:39][H:69])([H:70])[C@@:40]3([O:41][H:71])[H:72])([H:73])[H:74])([H:75])[H:76])([H:77])[C@:42]([O:43][H:78])([H:79])[C@:44]2([O:45][H:80])[H:81]):[C:46]([H:82]):[C:47]([H:83]):[C:48]:1[H:84])([H:86])[H:87].[O:49]=[C:50]1[C:55]([H:96])([H:97])[C:54]([H:94])([H:95])[C:53]([H:92])([H:93])[C:52]([H:90])([H:91])[C:51]([H:88])([H:89])[O:57]1.[H][O:56][H]