SMIRKS
[C:1]([C:2]1([H:59])[C:3]([H:60])([H:61])[C:4]([H:62])([H:63])[C:5]([H:64])([H:65])[C:6]([H:66])([H:67])[C:7]1=[O:8])([H:68])([H:69])[H:70].[O:57]=[O:58]>>[C:1]([C:2]1([H:59])[C:3]([H:60])([H:61])[C:4]([H:62])([H:63])[C:5]([H:64])([H:65])[C:6]([H:66])([H:67])[O:58][C:7]1=[O:8])([H:68])([H:69])[H:70].[H][O:57][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-R420
[C:1]([C:2]1([H:59])[C:3]([H:60])([H:61])[C:4]([H:62])([H:63])[C:5]([H:64])([H:65])[C:6]([H:66])([H:67])[C:7]1=[O:8])([H:68])([H:69])[H:70].[HH].[H][C:56]1([H:97])[C:12]([C:10]([N:9]([H:99])[H:100])=[O:11])=[C:13]([H:71])[N:14]([C@:15]2([H:72])[O:16][C@@:17]([C:18]([O:19][P:20](=[O:21])([O:22][H:73])[O:23][P:24](=[O:25])([O:26][H:74])[O:27][C:28]([C@@:29]3([H:75])[O:30][C@:31]([N:32]4:[C:33]([H:76]):[N:34]:[C:35]5:[C:36]([N:37]([H:77])[H:78]):[N:38]:[C:39]([H:79]):[N:40]:[C:41]:4:5)([H:80])[C@@:42]([O:43][P:44](=[O:45])([O:46][H:81])[O:47][H:82])([H:83])[C@@:48]3([O:49][H:84])[H:85])([H:86])[H:87])([H:88])[H:89])([H:90])[C@:50]([O:51][H:91])([H:92])[C@:52]2([O:53][H:93])[H:94])[C:54]([H:95])=[C:55]1[H:96].[O:57]=[O:58]>>[C:1]([C:2]1([H:59])[C:3]([H:60])([H:61])[C:4]([H:62])([H:63])[C:5]([H:64])([H:65])[C:6]([H:66])([H:67])[O:58][C:7]1=[O:8])([H:68])([H:69])[H:70].[N:9]([C:10](=[O:11])[C:12]1:[C:13]([H:71]):[N+:14]([C@:15]2([H:72])[O:16][C@@:17]([C:18]([O:19][P:20](=[O:21])([O:22][H:73])[O:23][P:24](=[O:25])([O:26][H:74])[O:27][C:28]([C@@:29]3([H:75])[O:30][C@:31]([N:32]4:[C:33]([H:76]):[N:34]:[C:35]5:[C:36]([N:37]([H:77])[H:78]):[N:38]:[C:39]([H:79]):[N:40]:[C:41]:4:5)([H:80])[C@@:42]([O:43][P:44](=[O:45])([O:46][H:81])[O:47][H:82])([H:83])[C@@:48]3([O:49][H:84])[H:85])([H:86])[H:87])([H:88])[H:89])([H:90])[C@:50]([O:51][H:91])([H:92])[C@:52]2([O:53][H:93])[H:94]):[C:54]([H:95]):[C:55]([H:96]):[C:56]:1[H:97])([H:99])[H:100].[H][O:57][H]