SMIRKS
[H]C1:C(O[C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:37])([H:38])[H:39])([H:35])[H:36])([H:33])[H:34])([H:31])[H:32])([H:29])[H:30])=[O:7]):C([H]):C2:O:C(=O):C([H]):C(C([H])([H])[H]):C:2:C:1[H].[H][O:21][H:40]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[O:7])[O:21][H:40])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])[H:36])([H:37])([H:38])[H:39]
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-R4737
[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[O:7])[O:8][C:9]1:[C:10]([H:22]):[C:11]([H:23]):[C:12]2:[C:13]([C:14]([H:24])([H:25])[H:26]):[C:15]([H:27]):[C:16](=[O:17]):[O:18]:[C:19]:2:[C:20]:1[H:28])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])[H:36])([H:37])([H:38])[H:39].[H][O:21][H:40]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[O:7])[O:21][H:40])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])[H:36])([H:37])([H:38])[H:39].[H][O:8][C:9]1:[C:10]([H:22]):[C:11]([H:23]):[C:12]2:[C:13]([C:14]([H:24])([H:25])[H:26]):[C:15]([H:27]):[C:16](=[O:17]):[O:18]:[C:19]:2:[C:20]:1[H:28]