SMIRKS
[O:49]=[C:50]1[C:51]([H:93])=[C:52]([H:94])[C:53](=[O:54])[C:55]([C:56]2:[C:57]([H:95]):[C:58]([H:96]):[C:59]([H:97]):[C:60]([H:98]):[C:61]:2[H:99])=[C:62]1[H:100]>>[H][O:49][C:50]1:[C:51]([H:93]):[C:52]([H:94]):[C:53]([O:54][H]):[C:55]([C:56]2:[C:57]([H:95]):[C:58]([H:96]):[C:59]([H:97]):[C:60]([H:98]):[C:61]:2[H:99]):[C:62]:1[H:100]
Derived Operators
EVODEX.1-M3 - Mass Difference
2.01566
EVODEX.1-E30 - Reaction Operator E
[#6:10]1=[#6:11]-[#6:13](=[#8:14])-[#6:15]=[#6:18]-[#6:21]-1=[#8:22]>>[#6:10]1:[#6:11]:[#6:13](-[#8:14]-[H]):[#6:15]:[#6:18]:[#6:21]:1-[#8:22]-[H]
EVODEX.1-N116 - Reaction Operator N
([#8:49]=[#6:50].[#6:53]=[#8:54])>>([H]-[#8:49]-[#6:50].[#6:53]-[#8:54]-[H])
EVODEX.1-Em192 - Reaction Operator Em
[#8:49]=[#6:50]1-[#6:51]=[#6:52]-[#6:53](=[#8:54])-[#6:55]=[#6:62]-1>>[H]-[#8:49]-[#6:50]1:[#6:51]:[#6:52]:[#6:53](-[#8:54]-[H]):[#6:55]:[#6:62]:1
EVODEX.1-Nm195 - Reaction Operator Nm
([#8:49]=[#6:50].[#6:53]=[#8:54])>>([H]-[#8:49]-[#6:50].[#6:53]-[#8:54]-[H])
Source Full Reactions
EVODEX.1-R1108
[HH].[H][C:48]1([H:89])[C:4]([C:2]([N:1]([H:91])[H:92])=[O:3])=[C:5]([H:63])[N:6]([C@:7]2([H:64])[O:8][C@@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:65])[O:15][P:16](=[O:17])([O:18][H:66])[O:19][C:20]([C@@:21]3([H:67])[O:22][C@:23]([N:24]4:[C:25]([H:68]):[N:26]:[C:27]5:[C:28]([N:29]([H:69])[H:70]):[N:30]:[C:31]([H:71]):[N:32]:[C:33]:4:5)([H:72])[C@@:34]([O:35][P:36](=[O:37])([O:38][H:73])[O:39][H:74])([H:75])[C@@:40]3([O:41][H:76])[H:77])([H:78])[H:79])([H:80])[H:81])([H:82])[C@:42]([O:43][H:83])([H:84])[C@:44]2([O:45][H:85])[H:86])[C:46]([H:87])=[C:47]1[H:88].[O:49]=[C:50]1[C:51]([H:93])=[C:52]([H:94])[C:53](=[O:54])[C:55]([C:56]2:[C:57]([H:95]):[C:58]([H:96]):[C:59]([H:97]):[C:60]([H:98]):[C:61]:2[H:99])=[C:62]1[H:100]>>[N:1]([C:2](=[O:3])[C:4]1:[C:5]([H:63]):[N+:6]([C@:7]2([H:64])[O:8][C@@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:65])[O:15][P:16](=[O:17])([O:18][H:66])[O:19][C:20]([C@@:21]3([H:67])[O:22][C@:23]([N:24]4:[C:25]([H:68]):[N:26]:[C:27]5:[C:28]([N:29]([H:69])[H:70]):[N:30]:[C:31]([H:71]):[N:32]:[C:33]:4:5)([H:72])[C@@:34]([O:35][P:36](=[O:37])([O:38][H:73])[O:39][H:74])([H:75])[C@@:40]3([O:41][H:76])[H:77])([H:78])[H:79])([H:80])[H:81])([H:82])[C@:42]([O:43][H:83])([H:84])[C@:44]2([O:45][H:85])[H:86]):[C:46]([H:87]):[C:47]([H:88]):[C:48]:1[H:89])([H:91])[H:92].[H][O:49][C:50]1:[C:51]([H:93]):[C:52]([H:94]):[C:53]([O:54][H]):[C:55]([C:56]2:[C:57]([H:95]):[C:58]([H:96]):[C:59]([H:97]):[C:60]([H:98]):[C:61]:2[H:99]):[C:62]:1[H:100]