SMIRKS
[H]C1:C(O[C:2]([C:1]([H:25])([H:26])[H:27])=[O:3]):C([H]):C2:O:C(=O):C([H]):C(C([H])([H])[H]):C:2:C:1[H].[H][O:17][H:28]>>[C:1]([C:2](=[O:3])[O:17][H:28])([H:25])([H:26])[H:27]
Derived Operators
EVODEX.1-F231 - Elemental Balance
| O | -3 |
| C | -10 |
| H | -8 |
EVODEX.1-M48 - Mass Difference
-176.04734
EVODEX.1-E951 - Reaction Operator E
[#6:17]-[#6:18](=[#8:19])-[#8]-[#6]1:[#6](-[H]):[#6](-[H]):[#6]2:[#6](-[#6](-[H])(-[H])-[H]):[#6](-[H]):[#6](=[#8]):[#8]:[#6]:2:[#6]:1-[H].[#8:33](-[H:74])-[H]>>[#6:17]-[#6:18](=[#8:19])-[#8:33]-[H:74]
EVODEX.1-C496 - Reaction Operator C
[H]-[#6]1:[#6](-[#8]-[#6:2]):[#6](-[H]):[#6]2:[#8]:[#6](=[#8]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[H]):[#6]:2:[#6]:1-[H].[H]-[#8:17]>>[#6:2]-[#8:17]
EVODEX.1-N610 - Reaction Operator N
[H]-[#6]1:[#6](-[#8]-[#6:2](-[#6:1])=[#8:3]):[#6](-[H]):[#6]2:[#8]:[#6](=[#8]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[H]):[#6]:2:[#6]:1-[H].[H]-[#8:17]-[H:28]>>[#6:1]-[#6:2](=[#8:3])-[#8:17]-[H:28]
EVODEX.1-Em30 - Reaction Operator Em
[#6]-[#8]-[#6:3](=[#8:2])-[#6:4].[H]-[#8:1]>>[#8:1]-[#6:3](=[#8:2])-[#6:4]
EVODEX.1-Nm30 - Reaction Operator Nm
[#6]-[#8]-[#6:3](=[#8:2])-[#6:4].[H]-[#8:1]>>[#8:1]-[#6:3](=[#8:2])-[#6:4]
Source Full Reactions
EVODEX.1-R4738
[C:1]([C:2](=[O:3])[O:4][C:5]1:[C:6]([H:18]):[C:7]([H:19]):[C:8]2:[C:9]([C:10]([H:20])([H:21])[H:22]):[C:11]([H:23]):[C:12](=[O:13]):[O:14]:[C:15]:2:[C:16]:1[H:24])([H:25])([H:26])[H:27].[H][O:17][H:28]>>[C:1]([C:2](=[O:3])[O:17][H:28])([H:25])([H:26])[H:27].[H][O:4][C:5]1:[C:6]([H:18]):[C:7]([H:19]):[C:8]2:[C:9]([C:10]([H:20])([H:21])[H:22]):[C:11]([H:23]):[C:12](=[O:13]):[O:14]:[C:15]:2:[C:16]:1[H:24]