SMIRKS
[O:46]=[C:47]1[C:48]([H:85])([H:86])[C:49]([H:87])([H:88])[C:50]([H:89])([H:90])[C:51]([H:91])([H:92])[C:52]1([H:93])[H:94]>>[H]N([H])[C:47]1([H])[C:48]([H:85])([H:86])[C:49]([H:87])([H:88])[C:50]([H:89])([H:90])[C:51]([H:91])([H:92])[C:52]1([H:93])[H:94].[H][O:46][H]
Derived Operators
EVODEX.1-M70 - Mass Difference
19.04225
EVODEX.1-E887 - Reaction Operator E
[#8:46]=[#6:47](-[#6:48])-[#6:50]>>[#7](-[#6@:47](-[#6:48])(-[#6:50])-[H])(-[H])-[H].[#8:46](-[H])-[H]
EVODEX.1-N36 - Reaction Operator N
[#6:3]-[#6:5](=[#8:6])-[#6:7]>>[H]-[#7](-[H])-[#6@:5](-[H])(-[#6:3])-[#6:7].[H]-[#8:6]-[H]
EVODEX.1-Em334 - Reaction Operator Em
[#8:46]=[#6:47](-[#6:48])-[#6:52]>>[H]-[#7](-[H])-[#6:47](-[H])(-[#6:48])-[#6:52].[H]-[#8:46]-[H]
EVODEX.1-Nm108 - Reaction Operator Nm
[#6:3]-[#6:5](=[#8:6])-[#6:7]>>[H]-[#7](-[H])-[#6:5](-[H])(-[#6:3])-[#6:7].[H]-[#8:6]-[H]
Source Full Reactions
EVODEX.1-R881
[HH].[H][C:45]1([H:78])[C:5]([C:3]([N:2]([H:80])[H:81])=[O:4])=[C:6]([H:53])[N:7]([C@:8]2([H:54])[O:9][C@@:10]([C:11]([O:12][P:13](=[O:14])([O:15][H:55])[O:16][P:17](=[O:18])([O:19][H:56])[O:20][C:21]([C@@:22]3([H:57])[O:23][C@:24]([N:25]4:[C:26]([H:58]):[N:27]:[C:28]5:[C:29]([N:30]([H:59])[H:60]):[N:31]:[C:32]([H:61]):[N:33]:[C:34]:4:5)([H:62])[C@@:35]([O:36][H:63])([H:64])[C@@:37]3([O:38][H:65])[H:66])([H:67])[H:68])([H:69])[H:70])([H:71])[C@:39]([O:40][H:72])([H:73])[C@:41]2([O:42][H:74])[H:75])[C:43]([H:76])=[C:44]1[H:77].[H][N:1]([H:82])[H:83].[O:46]=[C:47]1[C:48]([H:85])([H:86])[C:49]([H:87])([H:88])[C:50]([H:89])([H:90])[C:51]([H:91])([H:92])[C:52]1([H:93])[H:94]>>[H][C:47]1([N:1]([H:82])[H:83])[C:48]([H:85])([H:86])[C:49]([H:87])([H:88])[C:50]([H:89])([H:90])[C:51]([H:91])([H:92])[C:52]1([H:93])[H:94].[N:2]([C:3](=[O:4])[C:5]1:[C:6]([H:53]):[N+:7]([C@:8]2([H:54])[O:9][C@@:10]([C:11]([O:12][P:13](=[O:14])([O:15][H:55])[O:16][P:17](=[O:18])([O:19][H:56])[O:20][C:21]([C@@:22]3([H:57])[O:23][C@:24]([N:25]4:[C:26]([H:58]):[N:27]:[C:28]5:[C:29]([N:30]([H:59])[H:60]):[N:31]:[C:32]([H:61]):[N:33]:[C:34]:4:5)([H:62])[C@@:35]([O:36][H:63])([H:64])[C@@:37]3([O:38][H:65])[H:66])([H:67])[H:68])([H:69])[H:70])([H:71])[C@:39]([O:40][H:72])([H:73])[C@:41]2([O:42][H:74])[H:75]):[C:43]([H:76]):[C:44]([H:77]):[C:45]:1[H:78])([H:80])[H:81].[H][O:46][H]