SMIRKS
[H]O[C:8]([C:7]1:[C:6]([H:17]):[C:5]([H:16]):[C:4]([C:2](=[O:1])[O:3][H:15]):[C:12]([H:20]):[C:11]:1[H:19])=[O:9].[H][O:13][O:14][H]>>[O:13]=[O:14].[H][C:8]([C:7]1:[C:6]([H:17]):[C:5]([H:16]):[C:4]([C:2](=[O:1])[O:3][H:15]):[C:12]([H:20]):[C:11]:1[H:19])=[O:9]
Derived Operators
EVODEX.1-F33 - Elemental Balance
O | -1 |
H | -2 |
EVODEX.1-M4 - Mass Difference
-18.010559999999998
EVODEX.1-E491 - Reaction Operator E
[#6:6]-[#6:7](=[#8:8])-[#8]-[H].[#8:14](-[#8:15]-[H])-[H]>>[#6:6]-[#6:7](=[#8:8])-[H].[#8:14]=[#8:15]
EVODEX.1-C236 - Reaction Operator C
[H]-[#8]-[#6:8].[H]-[#8:13]-[#8:14]-[H]>>[#8:13]=[#8:14].[H]-[#6:8]
EVODEX.1-N220 - Reaction Operator N
[H]-[#8]-[#6:8](-[#6:7])=[#8:9].[H]-[#8:13]-[#8:14]-[H]>>[#8:13]=[#8:14].[H]-[#6:8](-[#6:7])=[#8:9]
EVODEX.1-Em311 - Reaction Operator Em
[H]-[#8]-[#6:8](-[#6:7])=[#8:9].[H]-[#8:13]-[#8:14]-[H]>>[#8:13]=[#8:14].[H]-[#6:8](-[#6:7])=[#8:9]
EVODEX.1-Cm218 - Reaction Operator Cm
[#8]-[#6:8].[H]-[#8:13]-[#8:14]-[H]>>[#8:13]=[#8:14].[H]-[#6:8]
EVODEX.1-Nm304 - Reaction Operator Nm
[H]-[#8]-[#6:8](-[#6:7])=[#8:9].[H]-[#8:13]-[#8:14]-[H]>>[#8:13]=[#8:14].[H]-[#6:8](-[#6:7])=[#8:9]
Source Full Reactions
EVODEX.1-R752
[O:1]=[C:2]([O:3][H:15])[C:4]1:[C:5]([H:16]):[C:6]([H:17]):[C:7]([C:8](=[O:9])[O:10][H:18]):[C:11]([H:19]):[C:12]:1[H:20].[H][O:13][O:14][H]>>[O:13]=[O:14].[H][C:8]([C:7]1:[C:6]([H:17]):[C:5]([H:16]):[C:4]([C:2](=[O:1])[O:3][H:15]):[C:12]([H:20]):[C:11]:1[H:19])=[O:9].[H][O:10][H:18]