SMIRKS
[O:49]=[C:50]1[C:51]([H:90])([H:91])[C@@:52]2([H:92])[C:53]([H:93])=[C:54]([H:94])[C@@:55]([H:95])([C:56]1([H:96])[H:97])[O:57]2.[O:58]=[O:59]>>[O:49]=[C:50]1[C:56]([H:96])([H:97])[C@@:55]2([H:95])[C:54]([H:94])=[C:53]([H:93])[C@@:52]([H:92])([C:51]([H:90])([H:91])[O:59]1)[O:57]2.[H][O:58][H]
Derived Operators
EVODEX.1-M3 - Mass Difference
2.01566
EVODEX.1-E27 - Reaction Operator E
[#8:49]=[#6:50](-[#6:51](-[H:91])(-[H:92])-[#6:52])-[#6:58].[#8:59]=[#8:60]>>[#8:49]=[#6:50](-[#6:58])-[#8:60]-[#6:51](-[#6:52])(-[H:91])-[H:92].[#8:59](-[H])-[H]
EVODEX.1-C97 - Reaction Operator C
[#6:50]-[#6:51].[#8:59]=[#8:60]>>[#6:50]-[#8:60]-[#6:51].[H]-[#8:59]-[H]
EVODEX.1-N181 - Reaction Operator N
[#8:49]=[#6:50](-[#6:51](-[H:91])(-[H:92])-[#6:52])-[#6:58].[#8:59]=[#8:60]>>[#8:49]=[#6:50](-[#6:58])-[#8:60]-[#6:51](-[#6:52])(-[H:91])-[H:92].[H]-[#8:59]-[H]
EVODEX.1-Em263 - Reaction Operator Em
[#8:49]=[#6:50](-[#6:51]-[#6:52])-[#6:58].[#8:59]=[#8:60]>>[#8:49]=[#6:50](-[#6:58])-[#8:60]-[#6:51]-[#6:52].[H]-[#8:59]-[H]
EVODEX.1-Cm119 - Reaction Operator Cm
[#6:50]-[#6:51].[#8:59]=[#8:60]>>[#6:50]-[#8:60]-[#6:51].[H]-[#8:59]-[H]
EVODEX.1-Nm261 - Reaction Operator Nm
[#8:49]=[#6:50](-[#6:51]-[#6:52])-[#6:58].[#8:59]=[#8:60]>>[#8:49]=[#6:50](-[#6:58])-[#8:60]-[#6:51]-[#6:52].[H]-[#8:59]-[H]
Source Full Reactions
EVODEX.1-R424
[HH].[H][C:48]1([H:86])[C:4]([C:2]([N:1]([H:88])[H:89])=[O:3])=[C:5]([H:60])[N:6]([C@:7]2([H:61])[O:8][C@@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:62])[O:15][P:16](=[O:17])([O:18][H:63])[O:19][C:20]([C@@:21]3([H:64])[O:22][C@:23]([N:24]4:[C:25]([H:65]):[N:26]:[C:27]5:[C:28]([N:29]([H:66])[H:67]):[N:30]:[C:31]([H:68]):[N:32]:[C:33]:4:5)([H:69])[C@@:34]([O:35][P:36](=[O:37])([O:38][H:70])[O:39][H:71])([H:72])[C@@:40]3([O:41][H:73])[H:74])([H:75])[H:76])([H:77])[H:78])([H:79])[C@:42]([O:43][H:80])([H:81])[C@:44]2([O:45][H:82])[H:83])[C:46]([H:84])=[C:47]1[H:85].[O:49]=[C:50]1[C:51]([H:90])([H:91])[C@@:52]2([H:92])[C:53]([H:93])=[C:54]([H:94])[C@@:55]([H:95])([C:56]1([H:96])[H:97])[O:57]2.[O:58]=[O:59]>>[N:1]([C:2](=[O:3])[C:4]1:[C:5]([H:60]):[N+:6]([C@:7]2([H:61])[O:8][C@@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:62])[O:15][P:16](=[O:17])([O:18][H:63])[O:19][C:20]([C@@:21]3([H:64])[O:22][C@:23]([N:24]4:[C:25]([H:65]):[N:26]:[C:27]5:[C:28]([N:29]([H:66])[H:67]):[N:30]:[C:31]([H:68]):[N:32]:[C:33]:4:5)([H:69])[C@@:34]([O:35][P:36](=[O:37])([O:38][H:70])[O:39][H:71])([H:72])[C@@:40]3([O:41][H:73])[H:74])([H:75])[H:76])([H:77])[H:78])([H:79])[C@:42]([O:43][H:80])([H:81])[C@:44]2([O:45][H:82])[H:83]):[C:46]([H:84]):[C:47]([H:85]):[C:48]:1[H:86])([H:88])[H:89].[O:49]=[C:50]1[C:56]([H:96])([H:97])[C@@:55]2([H:95])[C:54]([H:94])=[C:53]([H:93])[C@@:52]([H:92])([C:51]([H:90])([H:91])[O:59]1)[O:57]2.[H][O:58][H]