SMIRKS
[O:34]=[C:35]1[C:36]([H:60])([H:61])[C:37]([H:62])([H:63])[C:38]([H:64])([H:65])[C:39]([C:40](=[O:41])[O:42][H:66])([H:67])[N:43]1[H:68]>>[H]O[C:35](=[O:34])[C:36]([C:37]([C:38]([C:39]([C:40](=[O:41])[O:42][H:66])([N:43]([H])[H:68])[H:67])([H:64])[H:65])([H:62])[H:63])([H:60])[H:61]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-E368 - Reaction Operator E
[#8:34]=[#6:35](-[#6:36])-[#7:43](-[#6:39])-[H:68]>>([#8](-[#6:35](=[#8:34])-[#6:36])-[H].[#6:39]-[#7:43](-[H:68])-[H])
EVODEX.1-N871 - Reaction Operator N
[#8:34]=[#6:35](-[#6:36])-[#7:43](-[#6:39])-[H:68]>>([H]-[#8]-[#6:35](=[#8:34])-[#6:36].[#6:39]-[#7:43](-[H])-[H:68])
EVODEX.1-Em680 - Reaction Operator Em
[#8:34]=[#6:35](-[#6:36])-[#7:43]-[#6:39]>>([H]-[#8]-[#6:35](=[#8:34])-[#6:36].[#6:39]-[#7:43]-[H])
EVODEX.1-Nm613 - Reaction Operator Nm
[#8:34]=[#6:35](-[#6:36])-[#7:43]-[#6:39]>>([H]-[#8]-[#6:35](=[#8:34])-[#6:36].[#6:39]-[#7:43]-[H])
Source Full Reactions
EVODEX.1-R6538
[N:1]([C:2]1:[N:3]:[C:4]([H:44]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:45]):[N:10]:2[C@:11]1([H:46])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:47])[O:19][P:20](=[O:21])([O:22][H:48])[O:23][P:24](=[O:25])([O:26][H:49])[O:27][H:50])([H:51])[H:52])([H:53])[C@:28]([O:29][H:54])([H:55])[C@:30]1([O:31][H:56])[H:57])([H:58])[H:59].[O:34]=[C:35]1[C:36]([H:60])([H:61])[C:37]([H:62])([H:63])[C:38]([H:64])([H:65])[C:39]([C:40](=[O:41])[O:42][H:66])([H:67])[N:43]1[H:68].[H][O:32][H:69].[H][O:33][H:71]>>[N:1]([C:2]1:[N:3]:[C:4]([H:44]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:45]):[N:10]:2[C@:11]1([H:46])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:47])[O:19][P:20](=[O:21])([O:22][H:48])[O:33][H:71])([H:51])[H:52])([H:53])[C@:28]([O:29][H:54])([H:55])[C@:30]1([O:31][H:56])[H:57])([H:58])[H:59].[H][O:23][P:24](=[O:25])([O:26][H:49])[O:27][H:50].[H][N:43]([C:39]([C:38]([C:37]([C:36]([C:35]([O:32][H:69])=[O:34])([H:60])[H:61])([H:62])[H:63])([H:64])[H:65])([C:40](=[O:41])[O:42][H:66])[H:67])[H:68]