SMIRKS
[H]OS(=O)(=O)O[C:5]([C:4]([C:3]([C:2]([C:1]([H:30])([H:31])[H:32])([H:28])[H:29])([H:26])[H:27])([H:24])[H:25])([C:6]([C:7]([C:8]([H:15])([H:16])[H:17])([H:18])[H:19])([H:20])[H:21])[H:23]>>[H]O[C@:5]([C:4]([C:3]([C:2]([C:1]([H:30])([H:31])[H:32])([H:28])[H:29])([H:26])[H:27])([H:24])[H:25])([C:6]([C:7]([C:8]([H:15])([H:16])[H:17])([H:18])[H:19])([H:20])[H:21])[H:23]
Derived Operators
EVODEX.1-M123 - Mass Difference
-79.9568
EVODEX.1-E877 - Reaction Operator E
[#8](-[#6@:4](-[#6@:2])(-[#6@@:10])-[H:24])-[#16](=[#8])(=[#8])-[#8]-[H]>>[#8](-[#6@:4](-[#6@:2])(-[#6@@:10])-[H:24])-[H]
EVODEX.1-N1376 - Reaction Operator N
[H]-[#8]-[#16](=[#8])(=[#8])-[#8]-[#6:5](-[#6:4])(-[#6:6])-[H:23]>>[H]-[#8]-[#6@:5](-[#6:4])(-[#6:6])-[H:23]
Source Full Reactions
EVODEX.1-R5121
[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([H:15])([H:16])[H:17])([H:18])[H:19])([H:20])[H:21])([O:9][S:10](=[O:11])(=[O:12])[O:13][H:22])[H:23])([H:24])[H:25])([H:26])[H:27])([H:28])[H:29])([H:30])([H:31])[H:32].[H][O:14][H:33]>>[C:1]([C:2]([C:3]([C:4]([C@:5]([C:6]([C:7]([C:8]([H:15])([H:16])[H:17])([H:18])[H:19])([H:20])[H:21])([O:14][H:33])[H:23])([H:24])[H:25])([H:26])[H:27])([H:28])[H:29])([H:30])([H:31])[H:32].[H][O:9][S:10](=[O:11])(=[O:12])[O:13][H:22]