SMIRKS
[C:1]([C:2]([C:3](=[O:4])[C:5](=[O:6])[O:7][H:58])([H:59])[H:60])([H:61])([H:62])[H:63].[H][N:9]([C:8]([H:66])([H:67])[H:68])[H:64]>>[H][C:3]([C:2]([C:1]([H:61])([H:62])[H:63])([H:59])[H:60])([C:5](=[O:6])[O:7][H:58])[N:9]([C:8]([H:66])([H:67])[H:68])[H:64].[H][O:4][H]
Derived Operators
EVODEX.1-M3 - Mass Difference
2.01566
EVODEX.1-E28 - Reaction Operator E
[#7:45](-[#6:46])(-[H:106])-[H].[#6:59]-[#6:60](=[#8:61])-[#6:62]=[#8:63]>>[#7:45](-[#6:46])(-[#6@@:60](-[#6:59])(-[#6:62]=[#8:63])-[H])-[H:106].[#8:61](-[H])-[H]
EVODEX.1-N47 - Reaction Operator N
[H]-[#7:49](-[#6:50])-[H:105].[#6:59]-[#6:61](=[#8:62])-[#6:63]>>[H]-[#6:61](-[#7:49](-[#6:50])-[H:105])(-[#6:59])-[#6:63].[H]-[#8:62]-[H]
EVODEX.1-Em84 - Reaction Operator Em
[H]-[#7:49]-[#6:50].[#8:58]=[#6:59]-[#6:61](=[#8:62])-[#6:63]>>[H]-[#6:61](-[#7:49]-[#6:50])(-[#6:59]=[#8:58])-[#6:63].[H]-[#8:62]-[H]
EVODEX.1-Cm66 - Reaction Operator Cm
[H]-[#7:49].[#6:61]=[#8:62]>>[H]-[#6:61]-[#7:49].[H]-[#8:62]-[H]
EVODEX.1-Nm120 - Reaction Operator Nm
[H]-[#7:49]-[#6:50].[#6:59]-[#6:61](=[#8:62])-[#6:63]>>[H]-[#6:61](-[#7:49]-[#6:50])(-[#6:59])-[#6:63].[H]-[#8:62]-[H]
Source Full Reactions
EVODEX.1-R1055
[C:1]([C:2]([C:3](=[O:4])[C:5](=[O:6])[O:7][H:58])([H:59])[H:60])([H:61])([H:62])[H:63].[H][N:9]([C:8]([H:66])([H:67])[H:68])[H:64].[HH].[H][C:57]1([H:95])[C:13]([C:11]([N:10]([H:97])[H:98])=[O:12])=[C:14]([H:69])[N:15]([C@:16]2([H:70])[O:17][C@@:18]([C:19]([O:20][P:21](=[O:22])([O:23][H:71])[O:24][P:25](=[O:26])([O:27][H:72])[O:28][C:29]([C@@:30]3([H:73])[O:31][C@:32]([N:33]4:[C:34]([H:74]):[N:35]:[C:36]5:[C:37]([N:38]([H:75])[H:76]):[N:39]:[C:40]([H:77]):[N:41]:[C:42]:4:5)([H:78])[C@@:43]([O:44][P:45](=[O:46])([O:47][H:79])[O:48][H:80])([H:81])[C@@:49]3([O:50][H:82])[H:83])([H:84])[H:85])([H:86])[H:87])([H:88])[C@:51]([O:52][H:89])([H:90])[C@:53]2([O:54][H:91])[H:92])[C:55]([H:93])=[C:56]1[H:94]>>[H][C:3]([C:2]([C:1]([H:61])([H:62])[H:63])([H:59])[H:60])([C:5](=[O:6])[O:7][H:58])[N:9]([C:8]([H:66])([H:67])[H:68])[H:64].[N:10]([C:11](=[O:12])[C:13]1:[C:14]([H:69]):[N+:15]([C@:16]2([H:70])[O:17][C@@:18]([C:19]([O:20][P:21](=[O:22])([O:23][H:71])[O:24][P:25](=[O:26])([O:27][H:72])[O:28][C:29]([C@@:30]3([H:73])[O:31][C@:32]([N:33]4:[C:34]([H:74]):[N:35]:[C:36]5:[C:37]([N:38]([H:75])[H:76]):[N:39]:[C:40]([H:77]):[N:41]:[C:42]:4:5)([H:78])[C@@:43]([O:44][P:45](=[O:46])([O:47][H:79])[O:48][H:80])([H:81])[C@@:49]3([O:50][H:82])[H:83])([H:84])[H:85])([H:86])[H:87])([H:88])[C@:51]([O:52][H:89])([H:90])[C@:53]2([O:54][H:91])[H:92]):[C:55]([H:93]):[C:56]([H:94]):[C:57]:1[H:95])([H:97])[H:98].[H][O:4][H]