SMIRKS
O=[O:18].[H][C:26]([O:25][C:24]([C:22]([C:21]([O:20][H:102])([H:100])[H:101])([O:23][H:67])[H:99])([H:97])[H:98])([C:27]([C:28]([C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([C:35]([C:36]1:[C:37]([H:68]):[C:38]([H:69]):[C:39]2:[C:40]([H:70]):[C:41]([H:71]):[C:42]3:[C:43]([H:72]):[C:44]([H:73]):[C:45]([H:74]):[C:46]4:[C:47]([H:75]):[C:48]([H:76]):[C:49]:1:[C:50]:2:[C:51]:3:4)([H:77])[H:78])([H:79])[H:80])([H:81])[H:82])([H:83])[H:84])([H:85])[H:86])([H:87])[H:88])([H:89])[H:90])([H:91])[H:92])([H:93])[H:94])[H:95]>>[H][O:18][C:26]([O:25][C:24]([C:22]([C:21]([O:20][H:102])([H:100])[H:101])([O:23][H:67])[H:99])([H:97])[H:98])([C:27]([C:28]([C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([C:35]([C:36]1:[C:37]([H:68]):[C:38]([H:69]):[C:39]2:[C:40]([H:70]):[C:41]([H:71]):[C:42]3:[C:43]([H:72]):[C:44]([H:73]):[C:45]([H:74]):[C:46]4:[C:47]([H:75]):[C:48]([H:76]):[C:49]:1:[C:50]:2:[C:51]:3:4)([H:77])[H:78])([H:79])[H:80])([H:81])[H:82])([H:83])[H:84])([H:85])[H:86])([H:87])[H:88])([H:89])[H:90])([H:91])[H:92])([H:93])[H:94])[H:95]
Derived Operators
EVODEX.1-M9 - Mass Difference
-15.9949
EVODEX.1-E443 - Reaction Operator E
[#6:2]-[#6:4](-[#8:5])(-[H:45])-[H].[#8:28]=[#8]>>[#6:2]-[#6:4](-[#8:5])(-[#8:28]-[H])-[H:45]
EVODEX.1-N121 - Reaction Operator N
[#8]=[#8:18].[H]-[#6:26](-[#8:25])(-[#6:27])-[H:95]>>[H]-[#8:18]-[#6:26](-[#8:25])(-[#6:27])-[H:95]
EVODEX.1-Em202 - Reaction Operator Em
[#8]=[#8:18].[H]-[#6:26](-[#8:25])-[#6:27]>>[H]-[#8:18]-[#6:26](-[#8:25])-[#6:27]
EVODEX.1-Nm202 - Reaction Operator Nm
[#8]=[#8:18].[H]-[#6:26](-[#8:25])-[#6:27]>>[H]-[#8:18]-[#6:26](-[#8:25])-[#6:27]
Source Full Reactions
EVODEX.1-R538
[H][C@:6]1([C@:4]([C@:2]([C:1]([H:64])([H:65])[H:66])([O:3][H:52])[H:63])([O:5][H:53])[H:62])[C:7]([H:55])([H:56])[N:8]([H:57])[C:9]2:[N:10]([H:58]):[C:11](=[N:12][H:59]):[N:13]([H:60]):[C:14](=[O:15]):[C:16]:2[N:17]1[H].[O:18]=[O:19].[H][C:26]([O:25][C:24]([C:22]([C:21]([O:20][H:102])([H:100])[H:101])([O:23][H:67])[H:99])([H:97])[H:98])([C:27]([C:28]([C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([C:35]([C:36]1:[C:37]([H:68]):[C:38]([H:69]):[C:39]2:[C:40]([H:70]):[C:41]([H:71]):[C:42]3:[C:43]([H:72]):[C:44]([H:73]):[C:45]([H:74]):[C:46]4:[C:47]([H:75]):[C:48]([H:76]):[C:49]:1:[C:50]:2:[C:51]:3:4)([H:77])[H:78])([H:79])[H:80])([H:81])[H:82])([H:83])[H:84])([H:85])[H:86])([H:87])[H:88])([H:89])[H:90])([H:91])[H:92])([H:93])[H:94])[H:95]>>[C:1]([C@:2]([O:3][H:52])([C@:4]([O:5][H:53])([C:6]1=[N:17][C:16]2:[C:9](:[N:10]([H:58]):[C:11](=[N:12][H:59]):[N:13]([H:60]):[C:14]:2=[O:15])[N:8]([H:57])[C:7]1([H:55])[H:56])[H:62])[H:63])([H:64])([H:65])[H:66].[H][O:19][H].[H][O:18][C:26]([O:25][C:24]([C:22]([C:21]([O:20][H:102])([H:100])[H:101])([O:23][H:67])[H:99])([H:97])[H:98])([C:27]([C:28]([C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([C:35]([C:36]1:[C:37]([H:68]):[C:38]([H:69]):[C:39]2:[C:40]([H:70]):[C:41]([H:71]):[C:42]3:[C:43]([H:72]):[C:44]([H:73]):[C:45]([H:74]):[C:46]4:[C:47]([H:75]):[C:48]([H:76]):[C:49]:1:[C:50]:2:[C:51]:3:4)([H:77])[H:78])([H:79])[H:80])([H:81])[H:82])([H:83])[H:84])([H:85])[H:86])([H:87])[H:88])([H:89])[H:90])([H:91])[H:92])([H:93])[H:94])[H:95]