SMIRKS
[O:45]=[C:46]1[C:47]([H:88])=[C:48]([H:89])[C:49](=[O:50])[N:51]1[C:52]([C:53]1:[C:54]([H:90]):[C:55]([H:91]):[C:56]([H:92]):[C:57]([H:93]):[C:58]:1[H:94])([H:95])[H:96]>>[H][C:47]1([H:88])[C:46](=[O:45])[N:51]([C:52]([C:53]2:[C:54]([H:90]):[C:55]([H:91]):[C:56]([H:92]):[C:57]([H:93]):[C:58]:2[H:94])([H:95])[H:96])[C:49](=[O:50])[C:48]1([H])[H:89]
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-R776
[HH].[H][C:44]1([H:84])[C:4]([C:2]([N:1]([H:86])[H:87])=[O:3])=[C:5]([H:59])[N:6]([C@:7]2([H:60])[O:8][C@@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:61])[O:15][P:16](=[O:17])([O:18][H:62])[O:19][C:20]([C@@:21]3([H:63])[O:22][C@:23]([N:24]4:[C:25]([H:64]):[N:26]:[C:27]5:[C:28]([N:29]([H:65])[H:66]):[N:30]:[C:31]([H:67]):[N:32]:[C:33]:4:5)([H:68])[C@@:34]([O:35][H:69])([H:70])[C@@:36]3([O:37][H:71])[H:72])([H:73])[H:74])([H:75])[H:76])([H:77])[C@:38]([O:39][H:78])([H:79])[C@:40]2([O:41][H:80])[H:81])[C:42]([H:82])=[C:43]1[H:83].[O:45]=[C:46]1[C:47]([H:88])=[C:48]([H:89])[C:49](=[O:50])[N:51]1[C:52]([C:53]1:[C:54]([H:90]):[C:55]([H:91]):[C:56]([H:92]):[C:57]([H:93]):[C:58]:1[H:94])([H:95])[H:96]>>[N:1]([C:2](=[O:3])[C:4]1:[C:5]([H:59]):[N+:6]([C@:7]2([H:60])[O:8][C@@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:61])[O:15][P:16](=[O:17])([O:18][H:62])[O:19][C:20]([C@@:21]3([H:63])[O:22][C@:23]([N:24]4:[C:25]([H:64]):[N:26]:[C:27]5:[C:28]([N:29]([H:65])[H:66]):[N:30]:[C:31]([H:67]):[N:32]:[C:33]:4:5)([H:68])[C@@:34]([O:35][H:69])([H:70])[C@@:36]3([O:37][H:71])[H:72])([H:73])[H:74])([H:75])[H:76])([H:77])[C@:38]([O:39][H:78])([H:79])[C@:40]2([O:41][H:80])[H:81]):[C:42]([H:82]):[C:43]([H:83]):[C:44]:1[H:84])([H:86])[H:87].[H][C:47]1([H:88])[C:46](=[O:45])[N:51]([C:52]([C:53]2:[C:54]([H:90]):[C:55]([H:91]):[C:56]([H:92]):[C:57]([H:93]):[C:58]:2[H:94])([H:95])[H:96])[C:49](=[O:50])[C:48]1([H])[H:89]