SMIRKS
O=[C:5]([C:4]([C:3]([C:2]([C:1]([H:69])([H:70])[H:71])([H:67])[H:68])([H:65])[H:66])([H:63])[H:64])[C:7]1:[C:8]([H:58]):[C:9]([H:59]):[C:10]([H:60]):[C:11]([H:61]):[C:12]:1[H:62].[H][N:13]([H:101])[H:102]>>[H][C:5]([C:4]([C:3]([C:2]([C:1]([H:69])([H:70])[H:71])([H:67])[H:68])([H:65])[H:66])([H:63])[H:64])([C:7]1:[C:8]([H:58]):[C:9]([H:59]):[C:10]([H:60]):[C:11]([H:61]):[C:12]:1[H:62])[N:13]([H:101])[H:102]
Derived Operators
EVODEX.1-M9 - Mass Difference
-15.9949
EVODEX.1-E440 - Reaction Operator E
[#7:1](-[H:86])(-[H:87])-[H].[#8]=[#6:47](-[#6:48])-[#6:50]>>[#7:1](-[#6@:47](-[#6:48])(-[#6:50])-[H])(-[H:86])-[H:87]
EVODEX.1-N35 - Reaction Operator N
[H]-[#7:1](-[H:82])-[H:83].[#8]=[#6:49](-[#6:47])-[#6:51]>>[H]-[#6@@:49](-[#7:1](-[H:82])-[H:83])(-[#6:47])-[#6:51]
EVODEX.1-Em332 - Reaction Operator Em
[H]-[#7:1].[#8]=[#6:47](-[#6:48])-[#6:52]>>[H]-[#6:47](-[#7:1])(-[#6:48])-[#6:52]
EVODEX.1-Nm107 - Reaction Operator Nm
[H]-[#7:1].[#8]=[#6:49](-[#6:47])-[#6:51]>>[H]-[#6:49](-[#7:1])(-[#6:47])-[#6:51]
Source Full Reactions
EVODEX.1-R874
[C:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[C:7]1:[C:8]([H:58]):[C:9]([H:59]):[C:10]([H:60]):[C:11]([H:61]):[C:12]:1[H:62])([H:63])[H:64])([H:65])[H:66])([H:67])[H:68])([H:69])([H:70])[H:71].[HH].[H][C:57]1([H:97])[C:17]([C:15]([N:14]([H:99])[H:100])=[O:16])=[C:18]([H:72])[N:19]([C@:20]2([H:73])[O:21][C@@:22]([C:23]([O:24][P:25](=[O:26])([O:27][H:74])[O:28][P:29](=[O:30])([O:31][H:75])[O:32][C:33]([C@@:34]3([H:76])[O:35][C@:36]([N:37]4:[C:38]([H:77]):[N:39]:[C:40]5:[C:41]([N:42]([H:78])[H:79]):[N:43]:[C:44]([H:80]):[N:45]:[C:46]:4:5)([H:81])[C@@:47]([O:48][H:82])([H:83])[C@@:49]3([O:50][H:84])[H:85])([H:86])[H:87])([H:88])[H:89])([H:90])[C@:51]([O:52][H:91])([H:92])[C@:53]2([O:54][H:93])[H:94])[C:55]([H:95])=[C:56]1[H:96].[H][N:13]([H:101])[H:102]>>[H][C:5]([C:4]([C:3]([C:2]([C:1]([H:69])([H:70])[H:71])([H:67])[H:68])([H:65])[H:66])([H:63])[H:64])([C:7]1:[C:8]([H:58]):[C:9]([H:59]):[C:10]([H:60]):[C:11]([H:61]):[C:12]:1[H:62])[N:13]([H:101])[H:102].[N:14]([C:15](=[O:16])[C:17]1:[C:18]([H:72]):[N+:19]([C@:20]2([H:73])[O:21][C@@:22]([C:23]([O:24][P:25](=[O:26])([O:27][H:74])[O:28][P:29](=[O:30])([O:31][H:75])[O:32][C:33]([C@@:34]3([H:76])[O:35][C@:36]([N:37]4:[C:38]([H:77]):[N:39]:[C:40]5:[C:41]([N:42]([H:78])[H:79]):[N:43]:[C:44]([H:80]):[N:45]:[C:46]:4:5)([H:81])[C@@:47]([O:48][H:82])([H:83])[C@@:49]3([O:50][H:84])[H:85])([H:86])[H:87])([H:88])[H:89])([H:90])[C@:51]([O:52][H:91])([H:92])[C@:53]2([O:54][H:93])[H:94]):[C:55]([H:95]):[C:56]([H:96]):[C:57]:1[H:97])([H:99])[H:100].[H][O:6][H]