SMIRKS
[O:45]=[C:46]([O:47][H:86])[C:48](=[C:49]([C:50](=[O:51])[C:52]([Br:53])([C:54](=[O:55])[O:56][H:87])[H:88])[H:89])[H:90]>>[H][C:48]([C:46](=[O:45])[O:47][H:86])([C:49]([H])([C:50](=[O:51])[C:52]([Br:53])([C:54](=[O:55])[O:56][H:87])[H:88])[H:89])[H:90]
Derived Operators
EVODEX.1-M3 - Mass Difference
2.01566
EVODEX.1-E25 - Reaction Operator E
[#8:45]=[#6:46]-[#6:48](=[#6:49](-[#6:50]=[#8:51])-[H:84])-[H:85]>>[#8:45]=[#6:46]-[#6:48](-[#6:49](-[#6:50]=[#8:51])(-[H:84])-[H])(-[H:85])-[H]
EVODEX.1-N26 - Reaction Operator N
[#6:9]-[#6:10](=[#6:11](-[#6:12])-[H:146])-[H:147]>>[H]-[#6:10](-[#6:9])(-[#6:11](-[H])(-[#6:12])-[H:146])-[H:147]
EVODEX.1-Em166 - Reaction Operator Em
[#8:45]=[#6:46]-[#6:48]=[#6:49]-[#6:50]=[#8:51]>>[H]-[#6:48](-[#6:46]=[#8:45])-[#6:49](-[H])-[#6:50]=[#8:51]
EVODEX.1-Nm91 - Reaction Operator Nm
[#6:9]-[#6:10]=[#6:11]-[#6:12]>>[H]-[#6:10](-[#6:9])-[#6:11](-[H])-[#6:12]
Source Full Reactions
EVODEX.1-R780
[HH].[H][C:44]1([H:82])[C:4]([C:2]([N:1]([H:84])[H:85])=[O:3])=[C:5]([H:57])[N:6]([C@:7]2([H:58])[O:8][C@@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:59])[O:15][P:16](=[O:17])([O:18][H:60])[O:19][C:20]([C@@:21]3([H:61])[O:22][C@:23]([N:24]4:[C:25]([H:62]):[N:26]:[C:27]5:[C:28]([N:29]([H:63])[H:64]):[N:30]:[C:31]([H:65]):[N:32]:[C:33]:4:5)([H:66])[C@@:34]([O:35][H:67])([H:68])[C@@:36]3([O:37][H:69])[H:70])([H:71])[H:72])([H:73])[H:74])([H:75])[C@:38]([O:39][H:76])([H:77])[C@:40]2([O:41][H:78])[H:79])[C:42]([H:80])=[C:43]1[H:81].[O:45]=[C:46]([O:47][H:86])[C:48](=[C:49]([C:50](=[O:51])[C:52]([Br:53])([C:54](=[O:55])[O:56][H:87])[H:88])[H:89])[H:90]>>[N:1]([C:2](=[O:3])[C:4]1:[C:5]([H:57]):[N+:6]([C@:7]2([H:58])[O:8][C@@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:59])[O:15][P:16](=[O:17])([O:18][H:60])[O:19][C:20]([C@@:21]3([H:61])[O:22][C@:23]([N:24]4:[C:25]([H:62]):[N:26]:[C:27]5:[C:28]([N:29]([H:63])[H:64]):[N:30]:[C:31]([H:65]):[N:32]:[C:33]:4:5)([H:66])[C@@:34]([O:35][H:67])([H:68])[C@@:36]3([O:37][H:69])[H:70])([H:71])[H:72])([H:73])[H:74])([H:75])[C@:38]([O:39][H:76])([H:77])[C@:40]2([O:41][H:78])[H:79]):[C:42]([H:80]):[C:43]([H:81]):[C:44]:1[H:82])([H:84])[H:85].[H][C:48]([C:46](=[O:45])[O:47][H:86])([C:49]([H])([C:50](=[O:51])[C:52]([Br:53])([C:54](=[O:55])[O:56][H:87])[H:88])[H:89])[H:90]