SMIRKS
[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)[O:7][C:8](=[O:9])[C:10]1:[C:11]([H:18]):[C:12]([H:19]):[C:13]([H:20]):[C:14]([H:21]):[C:15]:1[O:16][H:22]>>[H][O:7][C:8](=[O:9])[C:10]1:[C:11]([H:18]):[C:12]([H:19]):[C:13]([H:20]):[C:14]([H:21]):[C:15]:1[O:16][H:22]
Derived Operators
EVODEX.1-F100 - Elemental Balance
O | -1 |
C | -5 |
H | -8 |
EVODEX.1-M230 - Mass Difference
-84.05754
EVODEX.1-E685 - Reaction Operator E
[#6](-[#6](-[#6](-[#6](-[#6](=[#8])-[#8:7]-[#6:8])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])(-[H])-[H]>>[#8:7](-[#6:8])-[H]
EVODEX.1-C502 - Reaction Operator C
[H]-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8:7]>>[H]-[#8:7]
EVODEX.1-N619 - Reaction Operator N
[H]-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8:7]-[#6:8]>>[H]-[#8:7]-[#6:8]
Source Full Reactions
EVODEX.1-R4752
[C:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[O:7][C:8](=[O:9])[C:10]1:[C:11]([H:18]):[C:12]([H:19]):[C:13]([H:20]):[C:14]([H:21]):[C:15]:1[O:16][H:22])([H:23])[H:24])([H:25])[H:26])([H:27])[H:28])([H:29])([H:30])[H:31].[H][O:17][H:32]>>[C:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[O:17][H:32])([H:23])[H:24])([H:25])[H:26])([H:27])[H:28])([H:29])([H:30])[H:31].[H][O:7][C:8](=[O:9])[C:10]1:[C:11]([H:18]):[C:12]([H:19]):[C:13]([H:20]):[C:14]([H:21]):[C:15]:1[O:16][H:22]