SMIRKS
[H]OS(=O)(=O)[O:9][C:8]1:[C:7]([H:44]):[C:6]([H:43]):[C:5]([C:3]([O:2][C:1]([H:48])([H:49])[H:50])=[O:4]):[C:15]([H:47]):[C:14]:1[H:46]>>[H][O:9][C:8]1:[C:7]([H:44]):[C:6]([H:43]):[C:5]([C:3]([O:2][C:1]([H:48])([H:49])[H:50])=[O:4]):[C:15]([H:47]):[C:14]:1[H:46]
Derived Operators
EVODEX.1-M123 - Mass Difference
-79.9568
EVODEX.1-E876 - Reaction Operator E
[#6:34]-[#8:35]-[#16](=[#8])(=[#8])-[#8]-[H]>>[#6:34]-[#8:35]-[H]
EVODEX.1-N588 - Reaction Operator N
[H]-[#8]-[#16](=[#8])(=[#8])-[#8:32]-[#6:33]>>[H]-[#8:32]-[#6:33]
Source Full Reactions
EVODEX.1-R4577
[C:1]([O:2][C:3](=[O:4])[C:5]1:[C:6]([H:43]):[C:7]([H:44]):[C:8]([O:9][S:10](=[O:11])(=[O:12])[O:13][H:45]):[C:14]([H:46]):[C:15]:1[H:47])([H:48])([H:49])[H:50].[H][O:33][P:31]([O:30][C:29]([C@@:28]1([H:58])[O:27][C@:26]([N:25]2:[C:21]3:[N:20]:[C:19]([H:51]):[N:18]:[C:17]([N:16]([H:64])[H:65]):[C:22]:3:[N:23]:[C:24]:2[H:52])([H:53])[C@@:41]([O:42][H:62])([H:63])[C@@:35]1([O:36][P:37](=[O:38])([O:39][H:59])[O:40][H:60])[H:61])([H:56])[H:57])(=[O:32])[O:34][H:55]>>[H][O:9][C:8]1:[C:7]([H:44]):[C:6]([H:43]):[C:5]([C:3]([O:2][C:1]([H:48])([H:49])[H:50])=[O:4]):[C:15]([H:47]):[C:14]:1[H:46].[S:10](=[O:11])(=[O:12])([O:13][H:45])[O:33][P:31]([O:30][C:29]([C@@:28]1([H:58])[O:27][C@:26]([N:25]2:[C:21]3:[N:20]:[C:19]([H:51]):[N:18]:[C:17]([N:16]([H:64])[H:65]):[C:22]:3:[N:23]:[C:24]:2[H:52])([H:53])[C@@:41]([O:42][H:62])([H:63])[C@@:35]1([O:36][P:37](=[O:38])([O:39][H:59])[O:40][H:60])[H:61])([H:56])[H:57])(=[O:32])[O:34][H:55]