SMIRKS
[H][C@:5]([C:4]([C:2]([C:1]([H:65])([H:66])[H:67])([C:3]([H:53])([H:54])[H:55])[H:64])([H:62])[H:63])([C:6]([H:56])([H:57])[H:58])[N:7]([H:59])[H:60].[H][O:52][H]>>[C:1]([C:2]([C:3]([H:53])([H:54])[H:55])([C:4]([C:5]([C:6]([H:56])([H:57])[H:58])=[O:52])([H:62])[H:63])[H:64])([H:65])([H:66])[H:67].[H][N:7]([H:59])[H:60]
Derived Operators
EVODEX.1-M5 - Mass Difference
-2.01566
EVODEX.1-E50 - Reaction Operator E
[#7:1](-[#6:2](-[#6:3])(-[#6:9])-[H])(-[H:29])-[H:30].[#8:15](-[H])-[H]>>[#6:2](-[#6:3])(-[#6:9])=[#8:15].[#7:1](-[H:29])(-[H:30])-[H]
EVODEX.1-N38 - Reaction Operator N
[H]-[#6@@:2](-[#7:1](-[H:36])-[H:37])(-[#6:3])-[#6:14].[H]-[#8:17]-[H]>>[#6:2](-[#6:3])(-[#6:14])=[#8:17].[H]-[#7:1](-[H:36])-[H:37]
EVODEX.1-Em331 - Reaction Operator Em
[H]-[#6:6](-[#6:5])(-[#6:7])-[#7:8].[H]-[#8:9]-[H]>>[#6:5]-[#6:6](-[#6:7])=[#8:9].[H]-[#7:8]
EVODEX.1-Nm110 - Reaction Operator Nm
[H]-[#6:2](-[#7:1])(-[#6:3])-[#6:14].[H]-[#8:17]-[H]>>[#6:2](-[#6:3])(-[#6:14])=[#8:17].[H]-[#7:1]
Source Full Reactions
EVODEX.1-R879
[H][C@:5]([C:4]([C:2]([C:1]([H:65])([H:66])[H:67])([C:3]([H:53])([H:54])[H:55])[H:64])([H:62])[H:63])([C:6]([H:56])([H:57])[H:58])[N:7]([H:59])[H:60].[N:8]([C:9](=[O:10])[C:11]1:[C:12]([H:68]):[C:13]([H:69]):[C:14]([H:70]):[N+:15]([C@:16]2([H:71])[O:17][C@@:18]([C:19]([O:20][P:21](=[O:22])([O:23][H:72])[O:24][P:25](=[O:26])([O:27][H:73])[O:28][C:29]([C@@:30]3([H:74])[O:31][C@:32]([N:33]4:[C:34]([H:75]):[N:35]:[C:36]5:[C:37]([N:38]([H:76])[H:77]):[N:39]:[C:40]([H:78]):[N:41]:[C:42]:4:5)([H:79])[C@@:43]([O:44][H:80])([H:81])[C@@:45]3([O:46][H:82])[H:83])([H:84])[H:85])([H:86])[H:87])([H:88])[C@:47]([O:48][H:89])([H:90])[C@:49]2([O:50][H:91])[H:92]):[C:51]:1[H:93])([H:94])[H:95].[H][O:52][H]>>[C:1]([C:2]([C:3]([H:53])([H:54])[H:55])([C:4]([C:5]([C:6]([H:56])([H:57])[H:58])=[O:52])([H:62])[H:63])[H:64])([H:65])([H:66])[H:67].[HH].[H][C:12]1([H:68])[C:11]([C:9]([N:8]([H:94])[H:95])=[O:10])=[C:51]([H:93])[N:15]([C@:16]2([H:71])[O:17][C@@:18]([C:19]([O:20][P:21](=[O:22])([O:23][H:72])[O:24][P:25](=[O:26])([O:27][H:73])[O:28][C:29]([C@@:30]3([H:74])[O:31][C@:32]([N:33]4:[C:34]([H:75]):[N:35]:[C:36]5:[C:37]([N:38]([H:76])[H:77]):[N:39]:[C:40]([H:78]):[N:41]:[C:42]:4:5)([H:79])[C@@:43]([O:44][H:80])([H:81])[C@@:45]3([O:46][H:82])[H:83])([H:84])[H:85])([H:86])[H:87])([H:88])[C@:47]([O:48][H:89])([H:90])[C@:49]2([O:50][H:91])[H:92])[C:14]([H:70])=[C:13]1[H:69].[H][N:7]([H:59])[H:60]