SMIRKS
[H][O:17][P:15]([O:14][C:13]([C@@:12]1([H:69])[O:11][C@@:10]([N:9]2:[C:8]([H:51]):[N:7]:[C:6]3:[C:4](=[O:5]):[N:3]([H:50]):[C:2](=[N:1][H:75]):[N:48]([H:74]):[C:47]:3:2)([H:52])[C@@:45]([O:46][H:72])([H:73])[C@@:43]1([O:44][H:70])[H:71])([H:67])[H:68])(=[O:16])[O:18][P:19](=[O:20])([O:21][H:54])[O:22][P:23](=[O:24])([O:25][H:55])[O:26][C:27]([C@@:28]1([H:56])[O:29][C@:30]([O+:31]2:[C:32]([H:57]):[C:33]([H:58]):[C:34](=[O:35]):[N:36]([H:59]):[C:37]:2=[O:38])([H:60])[C@@:39]([O:40][H:61])([H:62])[C@@:41]1([O:42][H:63])[H:64])([H:65])[H:66]>>[H]O[P:19]([O:17][P:15]([O:14][C:13]([C@@:12]1([H:69])[O:11][C@@:10]([N:9]2:[C:8]([H:51]):[N:7]:[C:6]3:[C:4](=[O:5]):[N:3]([H:50]):[C:2](=[N:1][H:75]):[N:48]([H:74]):[C:47]:3:2)([H:52])[C@@:45]([O:46][H:72])([H:73])[C@@:43]1([O:44][H:70])[H:71])([H:67])[H:68])(=[O:16])[O:18][H])(=[O:20])[O:21][H:54].[H][O:22][P:23](=[O:24])([O:25][H:55])[O:26][C:27]([C@@:28]1([H:56])[O:29][C@:30]([O+:31]2:[C:32]([H:57]):[C:33]([H:58]):[C:34](=[O:35]):[N:36]([H:59]):[C:37]:2=[O:38])([H:60])[C@@:39]([O:40][H:61])([H:62])[C@@:41]1([O:42][H:63])[H:64])([H:65])[H:66]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-E399 - Reaction Operator E
[#15:16]-[#8:19]-[#15:20](=[#8:21])(-[#8:22])-[#8:23]-[#15:24]-[#8:26]-[H]>>[#15:16]-[#8:19]-[H].[#15:20](=[#8:21])(-[#8:22])(-[#8:26]-[#15:24]-[#8:23]-[H])-[#8]-[H]
EVODEX.1-C717 - Reaction Operator C
([H]-[#8:20].[#8:17]-[#15:14]-[#8:13])>>[H]-[#8:13].([H]-[#8]-[#15:14]-[#8:20].[#8:17]-[H])
EVODEX.1-N884 - Reaction Operator N
[H]-[#8:20]-[#15:18]-[#8:17]-[#15:14](-[#8:13]-[#15:10])(=[#8:15])-[#8:16]>>[H]-[#8:13]-[#15:10].[H]-[#8]-[#15:14](=[#8:15])(-[#8:16])-[#8:20]-[#15:18]-[#8:17]-[H]
EVODEX.1-Em695 - Reaction Operator Em
[H]-[#8:20]-[#15:18]-[#8:17]-[#15:14](-[#8:13]-[#15:10])(=[#8:15])-[#8:16]>>[H]-[#8:13]-[#15:10].[H]-[#8]-[#15:14](=[#8:15])(-[#8:16])-[#8:20]-[#15:18]-[#8:17]-[H]
EVODEX.1-Cm281 - Reaction Operator Cm
([H]-[#8:20].[#8:17]-[#15:14]-[#8:13])>>[H]-[#8:13].([#8]-[#15:14]-[#8:20].[#8:17]-[H])
EVODEX.1-Nm624 - Reaction Operator Nm
[H]-[#8:20]-[#15:18]-[#8:17]-[#15:14](-[#8:13]-[#15:10])(=[#8:15])-[#8:16]>>[H]-[#8:13]-[#15:10].[H]-[#8]-[#15:14](=[#8:15])(-[#8:16])-[#8:20]-[#15:18]-[#8:17]-[H]
Source Full Reactions
EVODEX.1-R6626
[H][O:17][P:15]([O:14][C:13]([C@@:12]1([H:69])[O:11][C@@:10]([N:9]2:[C:8]([H:51]):[N:7]:[C:6]3:[C:4](=[O:5]):[N:3]([H:50]):[C:2](=[N:1][H:75]):[N:48]([H:74]):[C:47]:3:2)([H:52])[C@@:45]([O:46][H:72])([H:73])[C@@:43]1([O:44][H:70])[H:71])([H:67])[H:68])(=[O:16])[O:18][P:19](=[O:20])([O:21][H:54])[O:22][P:23](=[O:24])([O:25][H:55])[O:26][C:27]([C@@:28]1([H:56])[O:29][C@:30]([O+:31]2:[C:32]([H:57]):[C:33]([H:58]):[C:34](=[O:35]):[N:36]([H:59]):[C:37]:2=[O:38])([H:60])[C@@:39]([O:40][H:61])([H:62])[C@@:41]1([O:42][H:63])[H:64])([H:65])[H:66].[H][O:49][H:76]>>[H][O:18][P:15]([O:14][C:13]([C@@:12]1([H:69])[O:11][C@@:10]([N:9]2:[C:8]([H:51]):[N:7]:[C:6]3:[C:4](=[O:5]):[N:3]([H:50]):[C:2](=[N:1][H:75]):[N:48]([H:74]):[C:47]:3:2)([H:52])[C@@:45]([O:46][H:72])([H:73])[C@@:43]1([O:44][H:70])[H:71])([H:67])[H:68])(=[O:16])[O:17][P:19](=[O:20])([O:21][H:54])[O:49][H:76].[H][O:22][P:23](=[O:24])([O:25][H:55])[O:26][C:27]([C@@:28]1([H:56])[O:29][C@:30]([O+:31]2:[C:32]([H:57]):[C:33]([H:58]):[C:34](=[O:35]):[N:36]([H:59]):[C:37]:2=[O:38])([H:60])[C@@:39]([O:40][H:61])([H:62])[C@@:41]1([O:42][H:63])[H:64])([H:65])[H:66]