SMIRKS
[O:49]=[C:50]1[C:51]([H:91])([H:92])[C:52]([H:93])([H:94])[C:53]2:[C:54]([H:95]):[C:55]([H:96]):[C:56]([H:97]):[C:57]([H:98]):[C:58]:21.[O:59]=[O:60]>>[O:49]=[C:50]1[C:58]2:[C:53](:[C:54]([H:95]):[C:55]([H:96]):[C:56]([H:97]):[C:57]:2[H:98])[C:52]([H:93])([H:94])[C:51]([H:91])([H:92])[O:60]1.[H][O:59][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-R491
[HH].[H][C:48]1([H:87])[C:4]([C:2]([N:1]([H:89])[H:90])=[O:3])=[C:5]([H:61])[N:6]([C@:7]2([H:62])[O:8][C@@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:63])[O:15][P:16](=[O:17])([O:18][H:64])[O:19][C:20]([C@@:21]3([H:65])[O:22][C@:23]([N:24]4:[C:25]([H:66]):[N:26]:[C:27]5:[C:28]([N:29]([H:67])[H:68]):[N:30]:[C:31]([H:69]):[N:32]:[C:33]:4:5)([H:70])[C@@:34]([O:35][P:36](=[O:37])([O:38][H:71])[O:39][H:72])([H:73])[C@@:40]3([O:41][H:74])[H:75])([H:76])[H:77])([H:78])[H:79])([H:80])[C@:42]([O:43][H:81])([H:82])[C@:44]2([O:45][H:83])[H:84])[C:46]([H:85])=[C:47]1[H:86].[O:49]=[C:50]1[C:51]([H:91])([H:92])[C:52]([H:93])([H:94])[C:53]2:[C:54]([H:95]):[C:55]([H:96]):[C:56]([H:97]):[C:57]([H:98]):[C:58]:21.[O:59]=[O:60]>>[N:1]([C:2](=[O:3])[C:4]1:[C:5]([H:61]):[N+:6]([C@:7]2([H:62])[O:8][C@@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:63])[O:15][P:16](=[O:17])([O:18][H:64])[O:19][C:20]([C@@:21]3([H:65])[O:22][C@:23]([N:24]4:[C:25]([H:66]):[N:26]:[C:27]5:[C:28]([N:29]([H:67])[H:68]):[N:30]:[C:31]([H:69]):[N:32]:[C:33]:4:5)([H:70])[C@@:34]([O:35][P:36](=[O:37])([O:38][H:71])[O:39][H:72])([H:73])[C@@:40]3([O:41][H:74])[H:75])([H:76])[H:77])([H:78])[H:79])([H:80])[C@:42]([O:43][H:81])([H:82])[C@:44]2([O:45][H:83])[H:84]):[C:46]([H:85]):[C:47]([H:86]):[C:48]:1[H:87])([H:89])[H:90].[O:49]=[C:50]1[C:58]2:[C:53](:[C:54]([H:95]):[C:55]([H:96]):[C:56]([H:97]):[C:57]:2[H:98])[C:52]([H:93])([H:94])[C:51]([H:91])([H:92])[O:60]1.[H][O:59][H]