SMIRKS
[H][C:1]([H])([C:2](=[O:3])[C:4](=[O:5])[O:6][H:16])[H:17].O=[C:12]([C:11]1:[C:10]([H:21]):[C:9]([H:20]):[C:8]([C:7]([H:25])([H:26])[H:27]):[C:15]([H:24]):[C:14]:1[H:23])[H:22]>>[C:1]([C:2](=[O:3])[C:4](=[O:5])[O:6][H:16])(=[C:12]([C:11]1:[C:10]([H:21]):[C:9]([H:20]):[C:8]([C:7]([H:25])([H:26])[H:27]):[C:15]([H:24]):[C:14]:1[H:23])[H:22])[H:17]
Derived Operators
EVODEX.1-F33 - Elemental Balance
| O | -1 |
| H | -2 |
EVODEX.1-M4 - Mass Difference
-18.010559999999998
EVODEX.1-E496 - Reaction Operator E
[#6:1](-[#6:2](=[#8:3])-[#6:4]=[#8:5])(-[H:24])(-[H])-[H].[#8]=[#6:8](-[#6:9])-[H:36]>>[#6:1](-[#6:2](=[#8:3])-[#6:4]=[#8:5])(=[#6:8](-[#6:9])-[H:36])-[H:24]
EVODEX.1-N944 - Reaction Operator N
[H]-[#6:1](-[H])(-[#6:2])-[H:17].[#8]=[#6:12](-[#6:11])-[H:22]>>[#6:1](-[#6:2])(=[#6:12](-[#6:11])-[H:22])-[H:17]
EVODEX.1-Em752 - Reaction Operator Em
[H]-[#6:1](-[H])-[#6:2](=[#8:3])-[#6:4]=[#8:5].[#8]=[#6:12]-[#6:11]>>[#6:1](-[#6:2](=[#8:3])-[#6:4]=[#8:5])=[#6:12]-[#6:11]
EVODEX.1-Nm681 - Reaction Operator Nm
[H]-[#6:1](-[H])-[#6:2].[#8]=[#6:12]-[#6:11]>>[#6:1](-[#6:2])=[#6:12]-[#6:11]
Source Full Reactions
EVODEX.1-R6933
[H][C:1]([H])([C:2](=[O:3])[C:4](=[O:5])[O:6][H:16])[H:17].[C:7]([C:8]1:[C:9]([H:20]):[C:10]([H:21]):[C:11]([C:12](=[O:13])[H:22]):[C:14]([H:23]):[C:15]:1[H:24])([H:25])([H:26])[H:27]>>[C:1]([C:2](=[O:3])[C:4](=[O:5])[O:6][H:16])(=[C:12]([C:11]1:[C:10]([H:21]):[C:9]([H:20]):[C:8]([C:7]([H:25])([H:26])[H:27]):[C:15]([H:24]):[C:14]:1[H:23])[H:22])[H:17].[H][O:13][H]