SMIRKS
[H]O[C@@:6]([C@:4]([H])([C:2](=[O:1])[O:3][H:12])[O:5][H])([C@@:8]([O:9][H:15])([C:10]([O:11][H:16])([H:17])[H:18])[H:19])[H:20]>>[H][C:6]([C:4]([C:2](=[O:1])[O:3][H:12])=[O:5])([C@@:8]([O:9][H:15])([C:10]([O:11][H:16])([H:17])[H:18])[H:19])[H:20]
Derived Operators
EVODEX.1-F33 - Elemental Balance
| O | -1 |
| H | -2 |
EVODEX.1-M4 - Mass Difference
-18.010559999999998
EVODEX.1-E495 - Reaction Operator E
[#8:1]=[#6:2]-[#6@:3](-[#8:4]-[H])(-[#6@@:5](-[#8]-[H])(-[#6@:7])-[H:18])-[H]>>[#8:1]=[#6:2]-[#6:3](=[#8:4])-[#6:5](-[#6@:7])(-[H:18])-[H]
EVODEX.1-C743 - Reaction Operator C
[H]-[#8]-[#6@@:6]-[#6@:4](-[H])-[#8:5]-[H]>>[H]-[#6:6]-[#6:4]=[#8:5]
EVODEX.1-N949 - Reaction Operator N
[H]-[#8]-[#6@@:6](-[#6@:4](-[H])(-[#6:2])-[#8:5]-[H])(-[#6@@:8])-[H:20]>>[H]-[#6:6](-[#6:4](-[#6:2])=[#8:5])(-[#6@@:8])-[H:20]
EVODEX.1-Em760 - Reaction Operator Em
[H]-[#8]-[#6:6](-[#6:4](-[H])(-[#6:2]=[#8:1])-[#8:5]-[H])-[#6:8]>>[H]-[#6:6](-[#6:4](-[#6:2]=[#8:1])=[#8:5])-[#6:8]
EVODEX.1-Nm686 - Reaction Operator Nm
[H]-[#8]-[#6:6](-[#6:4](-[H])(-[#6:2])-[#8:5]-[H])-[#6:8]>>[H]-[#6:6](-[#6:4](-[#6:2])=[#8:5])-[#6:8]
Source Full Reactions
EVODEX.1-R7011
[H][C@@:4]([C:2](=[O:1])[O:3][H:12])([O:5][H])[C@:6]([O:7][H:14])([C@@:8]([O:9][H:15])([C:10]([O:11][H:16])([H:17])[H:18])[H:19])[H:20]>>[H][C:6]([C:4]([C:2](=[O:1])[O:3][H:12])=[O:5])([C@@:8]([O:9][H:15])([C:10]([O:11][H:16])([H:17])[H:18])[H:19])[H:20].[H][O:7][H:14]