SMIRKS
[O:45]=[C:46]([O:47][H:89])[C:48]1:[C:49]([H:90]):[C:50]([H:91]):[C:51]([N+:52](=[O:53])[O-:54]):[C:55]([H:92]):[C:56]:1[N+:57](=[O:58])[O-:59]>>[H][C:46](=[O:45])[C:48]1:[C:49]([H:90]):[C:50]([H:91]):[C:51]([N+:52](=[O:53])[O-:54]):[C:55]([H:92]):[C:56]:1[N+:57](=[O:58])[O-:59].[H][O:47][H:89]
Derived Operators
EVODEX.1-M3 - Mass Difference
2.01566
EVODEX.1-E6 - Reaction Operator E
[#6:6]-[#6:7](=[#8:8])-[#8:9]-[H:16]>>[#6:6]-[#6:7](=[#8:8])-[H].[#8:9](-[H:16])-[H]
EVODEX.1-N212 - Reaction Operator N
[#6:9]-[#6:10](=[#8:11])-[#8:12]-[H:20]>>[H]-[#6:10](-[#6:9])=[#8:11].[H]-[#8:12]-[H:20]
EVODEX.1-Em305 - Reaction Operator Em
[#6:9]-[#6:10](=[#8:11])-[#8:12]>>[H]-[#6:10](-[#6:9])=[#8:11].[H]-[#8:12]
EVODEX.1-Nm298 - Reaction Operator Nm
[#6:9]-[#6:10](=[#8:11])-[#8:12]>>[H]-[#6:10](-[#6:9])=[#8:11].[H]-[#8:12]
Source Full Reactions
EVODEX.1-R655
[HH].[H][C:44]1([H:85])[C:4]([C:2]([N:1]([H:87])[H:88])=[O:3])=[C:5]([H:60])[N:6]([C@:7]2([H:61])[O:8][C@@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:62])[O:15][P:16](=[O:17])([O:18][H:63])[O:19][C:20]([C@@:21]3([H:64])[O:22][C@:23]([N:24]4:[C:25]([H:65]):[N:26]:[C:27]5:[C:28]([N:29]([H:66])[H:67]):[N:30]:[C:31]([H:68]):[N:32]:[C:33]:4:5)([H:69])[C@@:34]([O:35][H:70])([H:71])[C@@:36]3([O:37][H:72])[H:73])([H:74])[H:75])([H:76])[H:77])([H:78])[C@:38]([O:39][H:79])([H:80])[C@:40]2([O:41][H:81])[H:82])[C:42]([H:83])=[C:43]1[H:84].[O:45]=[C:46]([O:47][H:89])[C:48]1:[C:49]([H:90]):[C:50]([H:91]):[C:51]([N+:52](=[O:53])[O-:54]):[C:55]([H:92]):[C:56]:1[N+:57](=[O:58])[O-:59]>>[N:1]([C:2](=[O:3])[C:4]1:[C:5]([H:60]):[N+:6]([C@:7]2([H:61])[O:8][C@@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:62])[O:15][P:16](=[O:17])([O:18][H:63])[O:19][C:20]([C@@:21]3([H:64])[O:22][C@:23]([N:24]4:[C:25]([H:65]):[N:26]:[C:27]5:[C:28]([N:29]([H:66])[H:67]):[N:30]:[C:31]([H:68]):[N:32]:[C:33]:4:5)([H:69])[C@@:34]([O:35][H:70])([H:71])[C@@:36]3([O:37][H:72])[H:73])([H:74])[H:75])([H:76])[H:77])([H:78])[C@:38]([O:39][H:79])([H:80])[C@:40]2([O:41][H:81])[H:82]):[C:42]([H:83]):[C:43]([H:84]):[C:44]:1[H:85])([H:87])[H:88].[H][C:46](=[O:45])[C:48]1:[C:49]([H:90]):[C:50]([H:91]):[C:51]([N+:52](=[O:53])[O-:54]):[C:55]([H:92]):[C:56]:1[N+:57](=[O:58])[O-:59].[H][O:47][H:89]