SMIRKS
[C:1]([C:2](=[O:3])[C:4](=[O:5])[O:6][H:64])([H:65])([H:66])[H:67].[H][N:55]([C:56]([C:57]([C:58]([C@:59]([N:60]([H:68])[H:69])([C:61](=[O:62])[O:63][H:70])[H:71])([H:72])[H:73])([H:74])[H:75])([H:76])[H:77])[H:78]>>[H][C@:2]([C:1]([H:65])([H:66])[H:67])([C:4](=[O:5])[O:6][H:64])[N:55]([C:56]([C:57]([C:58]([C@:59]([N:60]([H:68])[H:69])([C:61](=[O:62])[O:63][H:70])[H:71])([H:72])[H:73])([H:74])[H:75])([H:76])[H:77])[H:78].[H][O:3][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-R1066
[C:1]([C:2](=[O:3])[C:4](=[O:5])[O:6][H:64])([H:65])([H:66])[H:67].[HH].[H][N:55]([C:56]([C:57]([C:58]([C@:59]([N:60]([H:68])[H:69])([C:61](=[O:62])[O:63][H:70])[H:71])([H:72])[H:73])([H:74])[H:75])([H:76])[H:77])[H:78].[H][C:54]1([H:106])[C:10]([C:8]([N:7]([H:108])[H:109])=[O:9])=[C:11]([H:80])[N:12]([C@:13]2([H:81])[O:14][C@@:15]([C:16]([O:17][P:18](=[O:19])([O:20][H:82])[O:21][P:22](=[O:23])([O:24][H:83])[O:25][C:26]([C@@:27]3([H:84])[O:28][C@:29]([N:30]4:[C:31]([H:85]):[N:32]:[C:33]5:[C:34]([N:35]([H:86])[H:87]):[N:36]:[C:37]([H:88]):[N:38]:[C:39]:4:5)([H:89])[C@@:40]([O:41][P:42](=[O:43])([O:44][H:90])[O:45][H:91])([H:92])[C@@:46]3([O:47][H:93])[H:94])([H:95])[H:96])([H:97])[H:98])([H:99])[C@:48]([O:49][H:100])([H:101])[C@:50]2([O:51][H:102])[H:103])[C:52]([H:104])=[C:53]1[H:105]>>[H][C@:2]([C:1]([H:65])([H:66])[H:67])([C:4](=[O:5])[O:6][H:64])[N:55]([C:56]([C:57]([C:58]([C@:59]([N:60]([H:68])[H:69])([C:61](=[O:62])[O:63][H:70])[H:71])([H:72])[H:73])([H:74])[H:75])([H:76])[H:77])[H:78].[N:7]([C:8](=[O:9])[C:10]1:[C:11]([H:80]):[N+:12]([C@:13]2([H:81])[O:14][C@@:15]([C:16]([O:17][P:18](=[O:19])([O:20][H:82])[O:21][P:22](=[O:23])([O:24][H:83])[O:25][C:26]([C@@:27]3([H:84])[O:28][C@:29]([N:30]4:[C:31]([H:85]):[N:32]:[C:33]5:[C:34]([N:35]([H:86])[H:87]):[N:36]:[C:37]([H:88]):[N:38]:[C:39]:4:5)([H:89])[C@@:40]([O:41][P:42](=[O:43])([O:44][H:90])[O:45][H:91])([H:92])[C@@:46]3([O:47][H:93])[H:94])([H:95])[H:96])([H:97])[H:98])([H:99])[C@:48]([O:49][H:100])([H:101])[C@:50]2([O:51][H:102])[H:103]):[C:52]([H:104]):[C:53]([H:105]):[C:54]:1[H:106])([H:108])[H:109].[H][O:3][H]