SMIRKS
[H]OS(=O)(=O)O[C@:10]1([H:25])[C@@:2]([C:1]([H:26])([H:27])[H:28])([H:17])[O:3][C:4]([O:5][H:18])([H:19])[C@:6]([O:7][H:20])([H:21])[C@@:8]1([O:9][H:22])[H:23].[H][O:16][H:29]>>[C:1]([C@:2]1([H:17])[O:3][C:4]([O:5][H:18])([H:19])[C@:6]([O:7][H:20])([H:21])[C@@:8]([O:9][H:22])([H:23])[C@@:10]1([O:16][H:29])[H:25])([H:26])([H:27])[H:28]
Derived Operators
EVODEX.1-F141 - Elemental Balance
| O | -4 |
| S | -1 |
| H | -2 |
EVODEX.1-M113 - Mass Difference
-97.96736
EVODEX.1-E797 - Reaction Operator E
[#8](-[#6@@:42](-[#6@@:40])(-[H:261])-[#6@:48])-[#16](=[#8])(=[#8])-[#8]-[H].[#8:234](-[H:387])-[H]>>[#8:234](-[#6@@:42](-[#6@@:40])(-[H:261])-[#6@:48])-[H:387]
EVODEX.1-C1381 - Reaction Operator C
[H]-[#8]-[#16](=[#8])(=[#8])-[#8]-[#6@:10]-[#6@@:2].[H]-[#8:16]>>[#8:16]-[#6@@:10]-[#6@:2]
EVODEX.1-N1756 - Reaction Operator N
[H]-[#8]-[#16](=[#8])(=[#8])-[#8]-[#6@:10](-[H:25])(-[#6@@:2](-[#6:1])(-[H:17])-[#8:3])-[#6@@:8].[H]-[#8:16]-[H:29]>>[#6:1]-[#6@:2](-[H:17])(-[#8:3])-[#6@:10](-[#6@@:8])(-[#8:16]-[H:29])-[H:25]
EVODEX.1-Em629 - Reaction Operator Em
[#16]-[#8]-[#6:4](-[#6:2])-[#6:10].[H]-[#8:16]>>[#6:2]-[#6:4](-[#6:10])-[#8:16]
EVODEX.1-Nm564 - Reaction Operator Nm
[#16]-[#8]-[#6:4](-[#6:2])-[#6:10].[H]-[#8:16]>>[#6:2]-[#6:4](-[#6:10])-[#8:16]
Source Full Reactions
EVODEX.1-R5130
[C:1]([C@:2]1([H:17])[O:3][C:4]([O:5][H:18])([H:19])[C@:6]([O:7][H:20])([H:21])[C@@:8]([O:9][H:22])([H:23])[C@@:10]1([O:11][S:12](=[O:13])(=[O:14])[O:15][H:24])[H:25])([H:26])([H:27])[H:28].[H][O:16][H:29]>>[C:1]([C@:2]1([H:17])[O:3][C:4]([O:5][H:18])([H:19])[C@:6]([O:7][H:20])([H:21])[C@@:8]([O:9][H:22])([H:23])[C@@:10]1([O:16][H:29])[H:25])([H:26])([H:27])[H:28].[H][O:11][S:12](=[O:13])(=[O:14])[O:15][H:24]