SMIRKS
[H][C@:46]([N:45]([H:95])[H:96])([C:47]([C:48]1:[C:49]([H:87]):[C:50]([H:88]):[C:51]([H:89]):[C:52]([H:90]):[C:53]:1[F:54])([H:91])[H:92])[C:55](=[O:56])[O:57][H:93]>>O=[C:46]([C:47]([C:48]1:[C:49]([H:87]):[C:50]([H:88]):[C:51]([H:89]):[C:52]([H:90]):[C:53]:1[F:54])([H:91])[H:92])[C:55](=[O:56])[O:57][H:93].[H][N:45]([H:95])[H:96]
Derived Operators
EVODEX.1-M6 - Mass Difference
15.9949
EVODEX.1-E420 - Reaction Operator E
[#7:1](-[#6@@:2](-[#6:3]=[#8:4])(-[#6:6])-[H])(-[H:23])-[H:24]>>[#6:2](-[#6:3]=[#8:4])(-[#6:6])=[#8].[#7:1](-[H:23])(-[H:24])-[H]
EVODEX.1-N40 - Reaction Operator N
[H]-[#6:2](-[#7:1](-[H:29])-[H:30])(-[#6:3])-[#6:9]>>[#8]=[#6:2](-[#6:3])-[#6:9].[H]-[#7:1](-[H:29])-[H:30]
EVODEX.1-Em337 - Reaction Operator Em
[H]-[#6:2](-[#7:1])(-[#6:3]=[#8:4])-[#6:6]>>[#8]=[#6:2](-[#6:3]=[#8:4])-[#6:6].[H]-[#7:1]
EVODEX.1-Nm113 - Reaction Operator Nm
[H]-[#6:2](-[#7:1])(-[#6:3])-[#6:9]>>[#8]=[#6:2](-[#6:3])-[#6:9].[H]-[#7:1]
Source Full Reactions
EVODEX.1-R883
[N:1]([C:2](=[O:3])[C:4]1:[C:5]([H:59]):[C:6]([H:60]):[C:7]([H:61]):[N+:8]([C@:9]2([H:62])[O:10][C@@:11]([C:12]([O:13][P:14](=[O:15])([O:16][H:63])[O:17][P:18](=[O:19])([O:20][H:64])[O:21][C:22]([C@@:23]3([H:65])[O:24][C@:25]([N:26]4:[C:27]([H:66]):[N:28]:[C:29]5:[C:30]([N:31]([H:67])[H:68]):[N:32]:[C:33]([H:69]):[N:34]:[C:35]:4:5)([H:70])[C@@:36]([O:37][H:71])([H:72])[C@@:38]3([O:39][H:73])[H:74])([H:75])[H:76])([H:77])[H:78])([H:79])[C@:40]([O:41][H:80])([H:81])[C@:42]2([O:43][H:82])[H:83]):[C:44]:1[H:84])([H:85])[H:86].[H][C@:46]([N:45]([H:95])[H:96])([C:47]([C:48]1:[C:49]([H:87]):[C:50]([H:88]):[C:51]([H:89]):[C:52]([H:90]):[C:53]:1[F:54])([H:91])[H:92])[C:55](=[O:56])[O:57][H:93].[H][O:58][H]>>[C:46]([C:47]([C:48]1:[C:49]([H:87]):[C:50]([H:88]):[C:51]([H:89]):[C:52]([H:90]):[C:53]:1[F:54])([H:91])[H:92])([C:55](=[O:56])[O:57][H:93])=[O:58].[HH].[H][C:5]1([H:59])[C:4]([C:2]([N:1]([H:85])[H:86])=[O:3])=[C:44]([H:84])[N:8]([C@:9]2([H:62])[O:10][C@@:11]([C:12]([O:13][P:14](=[O:15])([O:16][H:63])[O:17][P:18](=[O:19])([O:20][H:64])[O:21][C:22]([C@@:23]3([H:65])[O:24][C@:25]([N:26]4:[C:27]([H:66]):[N:28]:[C:29]5:[C:30]([N:31]([H:67])[H:68]):[N:32]:[C:33]([H:69]):[N:34]:[C:35]:4:5)([H:70])[C@@:36]([O:37][H:71])([H:72])[C@@:38]3([O:39][H:73])[H:74])([H:75])[H:76])([H:77])[H:78])([H:79])[C@:40]([O:41][H:80])([H:81])[C@:42]2([O:43][H:82])[H:83])[C:7]([H:61])=[C:6]1[H:60].[H][N:45]([H:95])[H:96]