SMIRKS
[C:1]([C:2](=[O:3])[C:4]([C:5]1:[C:6]([H:61]):[C:7]([H:62]):[C:8]([H:63]):[C:9]([H:64]):[C:10]:1[H:65])([H:66])[H:67])([H:68])([H:69])[H:70].O=[O:60]>>[C:1]([C:2](=[O:3])[O:60][C:4]([C:5]1:[C:6]([H:61]):[C:7]([H:62]):[C:8]([H:63]):[C:9]([H:64]):[C:10]:1[H:65])([H:66])[H:67])([H:68])([H:69])[H:70]
Derived Operators
EVODEX.1-M9 - Mass Difference
-15.9949
EVODEX.1-E446 - Reaction Operator E
[#8:49]=[#6:50](-[#6:51](-[H:91])(-[H:92])-[#6:52])-[#6:58].[#8]=[#8:60]>>[#8:49]=[#6:50](-[#6:58])-[#8:60]-[#6:51](-[#6:52])(-[H:91])-[H:92]
EVODEX.1-N180 - Reaction Operator N
[#6:1]-[#6:2](=[#8:3])-[#6:4](-[#6:5])(-[H:66])-[H:67].[#8]=[#8:60]>>[#6:1]-[#6:2](=[#8:3])-[#8:60]-[#6:4](-[#6:5])(-[H:66])-[H:67]
EVODEX.1-Em262 - Reaction Operator Em
[#6:1]-[#6:2](=[#8:3])-[#6:4]-[#6:5].[#8]=[#8:60]>>[#6:1]-[#6:2](=[#8:3])-[#8:60]-[#6:4]-[#6:5]
EVODEX.1-Nm260 - Reaction Operator Nm
[#6:1]-[#6:2](=[#8:3])-[#6:4]-[#6:5].[#8]=[#8:60]>>[#6:1]-[#6:2](=[#8:3])-[#8:60]-[#6:4]-[#6:5]
Source Full Reactions
EVODEX.1-R464
[C:1]([C:2](=[O:3])[C:4]([C:5]1:[C:6]([H:61]):[C:7]([H:62]):[C:8]([H:63]):[C:9]([H:64]):[C:10]:1[H:65])([H:66])[H:67])([H:68])([H:69])[H:70].[HH].[H][C:58]1([H:97])[C:14]([C:12]([N:11]([H:99])[H:100])=[O:13])=[C:15]([H:71])[N:16]([C@:17]2([H:72])[O:18][C@@:19]([C:20]([O:21][P:22](=[O:23])([O:24][H:73])[O:25][P:26](=[O:27])([O:28][H:74])[O:29][C:30]([C@@:31]3([H:75])[O:32][C@:33]([N:34]4:[C:35]([H:76]):[N:36]:[C:37]5:[C:38]([N:39]([H:77])[H:78]):[N:40]:[C:41]([H:79]):[N:42]:[C:43]:4:5)([H:80])[C@@:44]([O:45][P:46](=[O:47])([O:48][H:81])[O:49][H:82])([H:83])[C@@:50]3([O:51][H:84])[H:85])([H:86])[H:87])([H:88])[H:89])([H:90])[C@:52]([O:53][H:91])([H:92])[C@:54]2([O:55][H:93])[H:94])[C:56]([H:95])=[C:57]1[H:96].[O:59]=[O:60]>>[C:1]([C:2](=[O:3])[O:60][C:4]([C:5]1:[C:6]([H:61]):[C:7]([H:62]):[C:8]([H:63]):[C:9]([H:64]):[C:10]:1[H:65])([H:66])[H:67])([H:68])([H:69])[H:70].[N:11]([C:12](=[O:13])[C:14]1:[C:15]([H:71]):[N+:16]([C@:17]2([H:72])[O:18][C@@:19]([C:20]([O:21][P:22](=[O:23])([O:24][H:73])[O:25][P:26](=[O:27])([O:28][H:74])[O:29][C:30]([C@@:31]3([H:75])[O:32][C@:33]([N:34]4:[C:35]([H:76]):[N:36]:[C:37]5:[C:38]([N:39]([H:77])[H:78]):[N:40]:[C:41]([H:79]):[N:42]:[C:43]:4:5)([H:80])[C@@:44]([O:45][P:46](=[O:47])([O:48][H:81])[O:49][H:82])([H:83])[C@@:50]3([O:51][H:84])[H:85])([H:86])[H:87])([H:88])[H:89])([H:90])[C@:52]([O:53][H:91])([H:92])[C@:54]2([O:55][H:93])[H:94]):[C:56]([H:95]):[C:57]([H:96]):[C:58]:1[H:97])([H:99])[H:100].[H][O:59][H]