SMIRKS
[O:49]=[C:50]1[C:51]([H:92])([H:93])[C:52]([H:94])([H:95])[C:53]2([H:96])[C:54]([H:97])([H:98])[C:55]([H:99])([H:100])[C:56]([H:101])([H:102])[C:57]([H:103])([H:104])[C:58]2([H:105])[C:59]1([H:106])[H:107].[O:60]=[O:61]>>[O:49]=[C:50]1[C:59]([H:106])([H:107])[C:58]2([H:105])[C:53]([H:96])([C:52]([H:94])([H:95])[C:51]([H:92])([H:93])[O:61]1)[C:54]([H:97])([H:98])[C:55]([H:99])([H:100])[C:56]([H:101])([H:102])[C:57]2([H:103])[H:104].[H][O:60][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-R439
[HH].[H][C:48]1([H:88])[C:4]([C:2]([N:1]([H:90])[H:91])=[O:3])=[C:5]([H:62])[N:6]([C@:7]2([H:63])[O:8][C@@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:64])[O:15][P:16](=[O:17])([O:18][H:65])[O:19][C:20]([C@@:21]3([H:66])[O:22][C@:23]([N:24]4:[C:25]([H:67]):[N:26]:[C:27]5:[C:28]([N:29]([H:68])[H:69]):[N:30]:[C:31]([H:70]):[N:32]:[C:33]:4:5)([H:71])[C@@:34]([O:35][P:36](=[O:37])([O:38][H:72])[O:39][H:73])([H:74])[C@@:40]3([O:41][H:75])[H:76])([H:77])[H:78])([H:79])[H:80])([H:81])[C@:42]([O:43][H:82])([H:83])[C@:44]2([O:45][H:84])[H:85])[C:46]([H:86])=[C:47]1[H:87].[O:49]=[C:50]1[C:51]([H:92])([H:93])[C:52]([H:94])([H:95])[C:53]2([H:96])[C:54]([H:97])([H:98])[C:55]([H:99])([H:100])[C:56]([H:101])([H:102])[C:57]([H:103])([H:104])[C:58]2([H:105])[C:59]1([H:106])[H:107].[O:60]=[O:61]>>[N:1]([C:2](=[O:3])[C:4]1:[C:5]([H:62]):[N+:6]([C@:7]2([H:63])[O:8][C@@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:64])[O:15][P:16](=[O:17])([O:18][H:65])[O:19][C:20]([C@@:21]3([H:66])[O:22][C@:23]([N:24]4:[C:25]([H:67]):[N:26]:[C:27]5:[C:28]([N:29]([H:68])[H:69]):[N:30]:[C:31]([H:70]):[N:32]:[C:33]:4:5)([H:71])[C@@:34]([O:35][P:36](=[O:37])([O:38][H:72])[O:39][H:73])([H:74])[C@@:40]3([O:41][H:75])[H:76])([H:77])[H:78])([H:79])[H:80])([H:81])[C@:42]([O:43][H:82])([H:83])[C@:44]2([O:45][H:84])[H:85]):[C:46]([H:86]):[C:47]([H:87]):[C:48]:1[H:88])([H:90])[H:91].[O:49]=[C:50]1[C:59]([H:106])([H:107])[C:58]2([H:105])[C:53]([H:96])([C:52]([H:94])([H:95])[C:51]([H:92])([H:93])[O:61]1)[C:54]([H:97])([H:98])[C:55]([H:99])([H:100])[C:56]([H:101])([H:102])[C:57]2([H:103])[H:104].[H][O:60][H]