SMIRKS
[C:1]([C:2](=[O:3])[C:4](=[O:5])[O:6][H:65])([H:66])([H:67])[H:68].[H][N:61]([C@@:60]([C:59]([C:58]([C:56]([N:55]([H:77])[H:78])=[O:57])([H:75])[H:76])([H:73])[H:74])([C:62](=[O:63])[O:64][H:71])[H:72])[H:69]>>[H][C@@:2]([C:1]([H:66])([H:67])[H:68])([C:4](=[O:5])[O:6][H:65])[N:61]([C@@:60]([C:59]([C:58]([C:56]([N:55]([H:77])[H:78])=[O:57])([H:75])[H:76])([H:73])[H:74])([C:62](=[O:63])[O:64][H:71])[H:72])[H:69].[H][O:3][H]
Derived Operators
EVODEX.1-M3 - Mass Difference
2.01566
EVODEX.1-E33 - Reaction Operator E
[#6:2]-[#6:3](=[#8:4])-[#6:5]=[#8:6].[#6:8]-[#6@:9](-[#7:10](-[H:64])-[H])(-[#6:11])-[H:67]>>[#6:2]-[#6:3](-[#6:5]=[#8:6])(-[#7:10](-[#6@@:9](-[#6:8])(-[#6:11])-[H:67])-[H:64])-[H].[#8:4](-[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-R1043
[C:1]([C:2](=[O:3])[C:4](=[O:5])[O:6][H:65])([H:66])([H:67])[H:68].[HH].[H][N:61]([C@@:60]([C:59]([C:58]([C:56]([N:55]([H:77])[H:78])=[O:57])([H:75])[H:76])([H:73])[H:74])([C:62](=[O:63])[O:64][H:71])[H:72])[H:69].[H][C:54]1([H:105])[C:10]([C:8]([N:7]([H:107])[H:108])=[O:9])=[C:11]([H:79])[N:12]([C@:13]2([H:80])[O:14][C@@:15]([C:16]([O:17][P:18](=[O:19])([O:20][H:81])[O:21][P:22](=[O:23])([O:24][H:82])[O:25][C:26]([C@@:27]3([H:83])[O:28][C@:29]([N:30]4:[C:31]([H:84]):[N:32]:[C:33]5:[C:34]([N:35]([H:85])[H:86]):[N:36]:[C:37]([H:87]):[N:38]:[C:39]:4:5)([H:88])[C@@:40]([O:41][P:42](=[O:43])([O:44][H:89])[O:45][H:90])([H:91])[C@@:46]3([O:47][H:92])[H:93])([H:94])[H:95])([H:96])[H:97])([H:98])[C@:48]([O:49][H:99])([H:100])[C@:50]2([O:51][H:101])[H:102])[C:52]([H:103])=[C:53]1[H:104]>>[H][C@@:2]([C:1]([H:66])([H:67])[H:68])([C:4](=[O:5])[O:6][H:65])[N:61]([C@@:60]([C:59]([C:58]([C:56]([N:55]([H:77])[H:78])=[O:57])([H:75])[H:76])([H:73])[H:74])([C:62](=[O:63])[O:64][H:71])[H:72])[H:69].[N:7]([C:8](=[O:9])[C:10]1:[C:11]([H:79]):[N+:12]([C@:13]2([H:80])[O:14][C@@:15]([C:16]([O:17][P:18](=[O:19])([O:20][H:81])[O:21][P:22](=[O:23])([O:24][H:82])[O:25][C:26]([C@@:27]3([H:83])[O:28][C@:29]([N:30]4:[C:31]([H:84]):[N:32]:[C:33]5:[C:34]([N:35]([H:85])[H:86]):[N:36]:[C:37]([H:87]):[N:38]:[C:39]:4:5)([H:88])[C@@:40]([O:41][P:42](=[O:43])([O:44][H:89])[O:45][H:90])([H:91])[C@@:46]3([O:47][H:92])[H:93])([H:94])[H:95])([H:96])[H:97])([H:98])[C@:48]([O:49][H:99])([H:100])[C@:50]2([O:51][H:101])[H:102]):[C:52]([H:103]):[C:53]([H:104]):[C:54]:1[H:105])([H:107])[H:108].[H][O:3][H]