SMIRKS
[H][C@:2]([C:1]([H:62])([H:63])[H:64])([N:3]([C:4]([C:5](=[O:6])[O:7][H:56])([H:57])[H:58])[H:59])[C:8](=[O:9])[O:10][H:60]>>O=[C:2]([C:1]([H:62])([H:63])[H:64])[C:8](=[O:9])[O:10][H:60].[H][N:3]([C:4]([C:5](=[O:6])[O:7][H:56])([H:57])[H:58])[H:59]
Derived Operators
EVODEX.1-M6 - Mass Difference
15.9949
EVODEX.1-E425 - Reaction Operator E
[#6:50]-[#7:51](-[#6@@:52](-[#6:53])(-[#6:58]=[#8:59])-[H])-[H:100]>>[#6:52](-[#6:53])(-[#6:58]=[#8:59])=[#8].[#6:50]-[#7:51](-[H:100])-[H]
EVODEX.1-N227 - Reaction Operator N
[H]-[#6@:52](-[#7:51](-[#6:50])-[H:100])(-[#6:53])-[#6:58]>>[#8]=[#6:52](-[#6:53])-[#6:58].[H]-[#7:51](-[#6:50])-[H:100]
EVODEX.1-Em333 - Reaction Operator Em
[H]-[#6:52](-[#7:51]-[#6:50])(-[#6:53])-[#6:58]=[#8:59]>>[#8]=[#6:52](-[#6:53])-[#6:58]=[#8:59].[H]-[#7:51]-[#6:50]
EVODEX.1-Nm311 - Reaction Operator Nm
[H]-[#6:52](-[#7:51]-[#6:50])(-[#6:53])-[#6:58]>>[#8]=[#6:52](-[#6:53])-[#6:58].[H]-[#7:51]-[#6:50]
Source Full Reactions
EVODEX.1-R1057
[H][C@:2]([C:1]([H:62])([H:63])[H:64])([N:3]([C:4]([C:5](=[O:6])[O:7][H:56])([H:57])[H:58])[H:59])[C:8](=[O:9])[O:10][H:60].[N:11]([C:12](=[O:13])[C:14]1:[C:15]([H:65]):[C:16]([H:66]):[C:17]([H:67]):[N+:18]([C@:19]2([H:68])[O:20][C@@:21]([C:22]([O:23][P:24](=[O:25])([O:26][H:69])[O:27][P:28](=[O:29])([O:30][H:70])[O:31][C:32]([C@@:33]3([H:71])[O:34][C@:35]([N:36]4:[C:37]([H:72]):[N:38]:[C:39]5:[C:40]([N:41]([H:73])[H:74]):[N:42]:[C:43]([H:75]):[N:44]:[C:45]:4:5)([H:76])[C@@:46]([O:47][H:77])([H:78])[C@@:48]3([O:49][H:79])[H:80])([H:81])[H:82])([H:83])[H:84])([H:85])[C@:50]([O:51][H:86])([H:87])[C@:52]2([O:53][H:88])[H:89]):[C:54]:1[H:90])([H:91])[H:92].[H][O:55][H]>>[C:1]([C:2]([C:8](=[O:9])[O:10][H:60])=[O:55])([H:62])([H:63])[H:64].[HH].[H][C:15]1([H:65])[C:14]([C:12]([N:11]([H:91])[H:92])=[O:13])=[C:54]([H:90])[N:18]([C@:19]2([H:68])[O:20][C@@:21]([C:22]([O:23][P:24](=[O:25])([O:26][H:69])[O:27][P:28](=[O:29])([O:30][H:70])[O:31][C:32]([C@@:33]3([H:71])[O:34][C@:35]([N:36]4:[C:37]([H:72]):[N:38]:[C:39]5:[C:40]([N:41]([H:73])[H:74]):[N:42]:[C:43]([H:75]):[N:44]:[C:45]:4:5)([H:76])[C@@:46]([O:47][H:77])([H:78])[C@@:48]3([O:49][H:79])[H:80])([H:81])[H:82])([H:83])[H:84])([H:85])[C@:50]([O:51][H:86])([H:87])[C@:52]2([O:53][H:88])[H:89])[C:17]([H:67])=[C:16]1[H:66].[H][N:3]([C:4]([C:5](=[O:6])[O:7][H:56])([H:57])[H:58])[H:59]