SMIRKS
[H][N:2]([C:1]([H:68])([H:69])[H:70])[C:3]([C:4]1:[C:5]([H:60]):[C:6]([H:61]):[C:7]([H:62]):[C:8]([H:63]):[C:9]:1[H:64])([H:65])[H:66].[O:58]=[O:59]>>[H][O:58][N:2]([C:1]([H:68])([H:69])[H:70])[C:3]([C:4]1:[C:5]([H:60]):[C:6]([H:61]):[C:7]([H:62]):[C:8]([H:63]):[C:9]:1[H:64])([H:65])[H:66].[H][O:59][H]
Derived Operators
EVODEX.1-M3 - Mass Difference
2.01566
EVODEX.1-E19 - Reaction Operator E
[#6:50]-[#7:51](-[H])-[#6:52].[#8:61]=[#8:62]>>[#6:50]-[#7:51](-[#8:61]-[H])-[#6:52].[#8:62](-[H])-[H]
EVODEX.1-C210 - Reaction Operator C
[H]-[#7:51].[#8:61]=[#8:62]>>[H]-[#8:61]-[#7:51].[H]-[#8:62]-[H]
EVODEX.1-N179 - Reaction Operator N
[H]-[#7:51](-[#6:50])-[#6:52].[#8:61]=[#8:62]>>[H]-[#8:61]-[#7:51](-[#6:50])-[#6:52].[H]-[#8:62]-[H]
EVODEX.1-Em261 - Reaction Operator Em
[H]-[#7:51](-[#6:50])-[#6:52].[#8:61]=[#8:62]>>[H]-[#8:61]-[#7:51](-[#6:50])-[#6:52].[H]-[#8:62]-[H]
EVODEX.1-Cm188 - Reaction Operator Cm
[H]-[#7:51].[#8:61]=[#8:62]>>[H]-[#8:61]-[#7:51].[H]-[#8:62]-[H]
EVODEX.1-Nm259 - Reaction Operator Nm
[H]-[#7:51](-[#6:50])-[#6:52].[#8:61]=[#8:62]>>[H]-[#8:61]-[#7:51](-[#6:50])-[#6:52].[H]-[#8:62]-[H]
Source Full Reactions
EVODEX.1-R443
[H][N:2]([C:1]([H:68])([H:69])[H:70])[C:3]([C:4]1:[C:5]([H:60]):[C:6]([H:61]):[C:7]([H:62]):[C:8]([H:63]):[C:9]:1[H:64])([H:65])[H:66].[HH].[H][C:57]1([H:97])[C:13]([C:11]([N:10]([H:99])[H:100])=[O:12])=[C:14]([H:71])[N:15]([C@:16]2([H:72])[O:17][C@@:18]([C:19]([O:20][P:21](=[O:22])([O:23][H:73])[O:24][P:25](=[O:26])([O:27][H:74])[O:28][C:29]([C@@:30]3([H:75])[O:31][C@:32]([N:33]4:[C:34]([H:76]):[N:35]:[C:36]5:[C:37]([N:38]([H:77])[H:78]):[N:39]:[C:40]([H:79]):[N:41]:[C:42]:4:5)([H:80])[C@@:43]([O:44][P:45](=[O:46])([O:47][H:81])[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].[O:58]=[O:59]>>[H][O:58][N:2]([C:1]([H:68])([H:69])[H:70])[C:3]([C:4]1:[C:5]([H:60]):[C:6]([H:61]):[C:7]([H:62]):[C:8]([H:63]):[C:9]:1[H:64])([H:65])[H:66].[N:10]([C:11](=[O:12])[C:13]1:[C:14]([H:71]):[N+:15]([C@:16]2([H:72])[O:17][C@@:18]([C:19]([O:20][P:21](=[O:22])([O:23][H:73])[O:24][P:25](=[O:26])([O:27][H:74])[O:28][C:29]([C@@:30]3([H:75])[O:31][C@:32]([N:33]4:[C:34]([H:76]):[N:35]:[C:36]5:[C:37]([N:38]([H:77])[H:78]):[N:39]:[C:40]([H:79]):[N:41]:[C:42]:4:5)([H:80])[C@@:43]([O:44][P:45](=[O:46])([O:47][H:81])[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:59][H]