SMIRKS
[H]OC(=O)C(O[H])=C([H])C([H])=C([H])[C:8]([C:7]1:[C:2]([N:1]([H:28])[H:29]):[C:3]([H:19]):[C:4]([H:20]):[C:5]([H:21]):[C:6]:1[H:22])=[O:9]>>[H]O[C:8]([C:7]1:[C:2]([N:1]([H:28])[H:29]):[C:3]([H:19]):[C:4]([H:20]):[C:5]([H:21]):[C:6]:1[H:22])=[O:9]
Derived Operators
EVODEX.1-F239 - Elemental Balance
| C | -5 |
| O | -2 |
| H | -4 |
EVODEX.1-M296 - Mass Difference
-96.02112
EVODEX.1-E963 - Reaction Operator E
[#8]=[#6](-[#8]-[H])-[#6](-[#8]-[H])=[#6](-[#6](=[#6](-[#6:10](=[#8:11])-[#6:12])-[H])-[H])-[H]>>[#8](-[#6:10](=[#8:11])-[#6:12])-[H]
EVODEX.1-C720 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6](-[#8]-[H])=[#6](-[H])-[#6](-[H])=[#6](-[H])-[#6:10]>>[H]-[#8]-[#6:10]
EVODEX.1-N887 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6](-[#8]-[H])=[#6](-[H])-[#6](-[H])=[#6](-[H])-[#6:10](=[#8:11])-[#6:12]>>[H]-[#8]-[#6:10](=[#8:11])-[#6:12]
EVODEX.1-Em699 - Reaction Operator Em
[#6](=[#8])-[#6]=[#6]-[#6]=[#6](-[H])-[#6:10](=[#8:11])-[#6:12]>>[H]-[#8]-[#6:10](=[#8:11])-[#6:12]
EVODEX.1-Nm628 - Reaction Operator Nm
[#6]=[#6](-[H])-[#6:10](=[#8:11])-[#6:12]>>[H]-[#8]-[#6:10](=[#8:11])-[#6:12]
Source Full Reactions
EVODEX.1-R6661
[N:1]([C:2]1:[C:3]([H:19]):[C:4]([H:20]):[C:5]([H:21]):[C:6]([H:22]):[C:7]:1[C:8](=[O:9])[C:10](=[C:11]([C:12](=[C:13]([O:14][H:23])[C:15](=[O:16])[O:17][H:24])[H:25])[H:26])[H:27])([H:28])[H:29].[H][O:18][H:30]>>[H][C:10](=[C:11]([C:12](=[C:13]([O:14][H:23])[C:15](=[O:16])[O:17][H:24])[H:25])[H:26])[H:27].[N:1]([C:2]1:[C:3]([H:19]):[C:4]([H:20]):[C:5]([H:21]):[C:6]([H:22]):[C:7]:1[C:8](=[O:9])[O:18][H:30])([H:28])[H:29]