SMIRKS
[H]OS(=O)(=O)O[C@:2]([C:1]([H:25])([H:26])[H:27])([C:3]([C:4]1:[C:5]([H:17]):[C:6]([H:18]):[C:7]([Cl:8]):[C:9]([H:19]):[C:10]:1[H:20])([H:21])[H:22])[H:24].[H][O:16][H:28]>>[C:1]([C@@:2]([C:3]([C:4]1:[C:5]([H:17]):[C:6]([H:18]):[C:7]([Cl:8]):[C:9]([H:19]):[C:10]:1[H:20])([H:21])[H:22])([O:16][H:28])[H:24])([H:25])([H:26])[H:27]
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-C523 - Reaction Operator C
[H]-[#8]-[#16](=[#8])(=[#8])-[#8]-[#6@:4].[H]-[#8:16]>>[#8:16]-[#6@:4]
EVODEX.1-N1375 - Reaction Operator N
[H]-[#8]-[#16](=[#8])(=[#8])-[#8]-[#6@:4](-[#6@:2])(-[#6@@:10])-[H:24].[H]-[#8:16]-[H:29]>>[#8:16](-[#6@:4](-[#6@:2])(-[#6@@:10])-[H:24])-[H:29]
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-R5119
[C:1]([C@:2]([C:3]([C:4]1:[C:5]([H:17]):[C:6]([H:18]):[C:7]([Cl:8]):[C:9]([H:19]):[C:10]:1[H:20])([H:21])[H:22])([O:11][S:12](=[O:13])(=[O:14])[O:15][H:23])[H:24])([H:25])([H:26])[H:27].[H][O:16][H:28]>>[C:1]([C@@:2]([C:3]([C:4]1:[C:5]([H:17]):[C:6]([H:18]):[C:7]([Cl:8]):[C:9]([H:19]):[C:10]:1[H:20])([H:21])[H:22])([O:16][H:28])[H:24])([H:25])([H:26])[H:27].[H][O:11][S:12](=[O:13])(=[O:14])[O:15][H:23]