SMIRKS
O=[C:14]([C:13]1:[C:12]([H:26]):[C:11]([H:25]):[C:10]([C:8]([C:7]([H:31])([H:32])[H:33])([C:9]([H:22])([H:23])[H:24])[H:30]):[C:17]([H:29]):[C:16]:1[H:28])[H:27]>>[H]OC(=O)C(=O)C([H])=[C:14]([C:13]1:[C:12]([H:26]):[C:11]([H:25]):[C:10]([C:8]([C:7]([H:31])([H:32])[H:33])([C:9]([H:22])([H:23])[H:24])[H:30]):[C:17]([H:29]):[C:16]:1[H:28])[H:27]
Derived Operators
EVODEX.1-F39 - Elemental Balance
| C | 3 |
| O | 2 |
| H | 2 |
EVODEX.1-M206 - Mass Difference
70.00546
EVODEX.1-E514 - Reaction Operator E
[#8]=[#6:8](-[#6:9])-[H:36]>>[#6](-[#6](=[#8])-[#6](=[#8])-[#8]-[H])(=[#6:8](-[#6:9])-[H:36])-[H]
EVODEX.1-C735 - Reaction Operator C
[#8]=[#6:14]>>[H]-[#8]-[#6](=[#8])-[#6](=[#8])-[#6](-[H])=[#6:14]
EVODEX.1-N941 - Reaction Operator N
[#8]=[#6:14](-[#6:13])-[H:27]>>[H]-[#8]-[#6](=[#8])-[#6](=[#8])-[#6](-[H])=[#6:14](-[#6:13])-[H:27]
EVODEX.1-Em749 - Reaction Operator Em
[#8]=[#6:14]-[#6:13]>>[#6](=[#8])-[#6](=[#8])-[#6](-[H])=[#6:14]-[#6:13]
Source Full Reactions
EVODEX.1-R6928
[H][C:1]([H])([C:2](=[O:3])[C:4](=[O:5])[O:6][H:18])[H:19].[C:7]([C:8]([C:9]([H:22])([H:23])[H:24])([C:10]1:[C:11]([H:25]):[C:12]([H:26]):[C:13]([C:14](=[O:15])[H:27]):[C:16]([H:28]):[C:17]:1[H:29])[H:30])([H:31])([H:32])[H:33]>>[C:1]([C:2](=[O:3])[C:4](=[O:5])[O:6][H:18])(=[C:14]([C:13]1:[C:12]([H:26]):[C:11]([H:25]):[C:10]([C:8]([C:7]([H:31])([H:32])[H:33])([C:9]([H:22])([H:23])[H:24])[H:30]):[C:17]([H:29]):[C:16]:1[H:28])[H:27])[H:19].[H][O:15][H]