SMIRKS
O=[C:2]([C:1]([H:58])([H:59])[H:60])[C:4](=[O:5])[O:6][H:57].[H][N:51]([C:52]([C:53]([C:54](=[O:55])[O:56][H:61])([H:62])[H:63])([H:64])[H:65])[H:66]>>[H][C@@:2]([C:1]([H:58])([H:59])[H:60])([C:4](=[O:5])[O:6][H:57])[N:51]([C:52]([C:53]([C:54](=[O:55])[O:56][H:61])([H:62])[H:63])([H:64])[H:65])[H:66]
Derived Operators
EVODEX.1-M9 - Mass Difference
-15.9949
EVODEX.1-E447 - Reaction Operator E
[#7:45](-[#6:46])(-[H:106])-[H].[#6:59]-[#6:60](=[#8])-[#6:62]=[#8:63]>>[#7:45](-[#6:46])(-[#6@@:60](-[#6:59])(-[#6:62]=[#8:63])-[H])-[H:106]
EVODEX.1-N39 - Reaction Operator N
[#8]=[#6:3](-[#6:2])-[#6:5].[H]-[#7:10](-[#6@@:9])-[H:64]>>[H]-[#6:3](-[#6:2])(-[#6:5])-[#7:10](-[#6@@:9])-[H:64]
EVODEX.1-Em82 - Reaction Operator Em
[#8]=[#6:3](-[#6:2])-[#6:5]=[#8:6].[H]-[#7:10]-[#6:9]>>[H]-[#6:3](-[#6:2])(-[#6:5]=[#8:6])-[#7:10]-[#6:9]
EVODEX.1-Nm111 - Reaction Operator Nm
[#8]=[#6:3](-[#6:2])-[#6:5].[H]-[#7:10]-[#6:9]>>[H]-[#6:3](-[#6:2])(-[#6:5])-[#7:10]-[#6:9]
Source Full Reactions
EVODEX.1-R1053
[C:1]([C:2](=[O:3])[C:4](=[O:5])[O:6][H:57])([H:58])([H:59])[H:60].[HH].[H][N:51]([C:52]([C:53]([C:54](=[O:55])[O:56][H:61])([H:62])[H:63])([H:64])[H:65])[H:66].[H][C:50]1([H:93])[C:10]([C:8]([N:7]([H:95])[H:96])=[O:9])=[C:11]([H:68])[N:12]([C@:13]2([H:69])[O:14][C@@:15]([C:16]([O:17][P:18](=[O:19])([O:20][H:70])[O:21][P:22](=[O:23])([O:24][H:71])[O:25][C:26]([C@@:27]3([H:72])[O:28][C@:29]([N:30]4:[C:31]([H:73]):[N:32]:[C:33]5:[C:34]([N:35]([H:74])[H:75]):[N:36]:[C:37]([H:76]):[N:38]:[C:39]:4:5)([H:77])[C@@:40]([O:41][H:78])([H:79])[C@@:42]3([O:43][H:80])[H:81])([H:82])[H:83])([H:84])[H:85])([H:86])[C@:44]([O:45][H:87])([H:88])[C@:46]2([O:47][H:89])[H:90])[C:48]([H:91])=[C:49]1[H:92]>>[H][C@@:2]([C:1]([H:58])([H:59])[H:60])([C:4](=[O:5])[O:6][H:57])[N:51]([C:52]([C:53]([C:54](=[O:55])[O:56][H:61])([H:62])[H:63])([H:64])[H:65])[H:66].[N:7]([C:8](=[O:9])[C:10]1:[C:11]([H:68]):[N+:12]([C@:13]2([H:69])[O:14][C@@:15]([C:16]([O:17][P:18](=[O:19])([O:20][H:70])[O:21][P:22](=[O:23])([O:24][H:71])[O:25][C:26]([C@@:27]3([H:72])[O:28][C@:29]([N:30]4:[C:31]([H:73]):[N:32]:[C:33]5:[C:34]([N:35]([H:74])[H:75]):[N:36]:[C:37]([H:76]):[N:38]:[C:39]:4:5)([H:77])[C@@:40]([O:41][H:78])([H:79])[C@@:42]3([O:43][H:80])[H:81])([H:82])[H:83])([H:84])[H:85])([H:86])[C@:44]([O:45][H:87])([H:88])[C@:46]2([O:47][H:89])[H:90]):[C:48]([H:91]):[C:49]([H:92]):[C:50]:1[H:93])([H:95])[H:96].[H][O:3][H]