SMIRKS
[H]O[C:4]([C:3]([C:2]([C:1]([H:17])([H:18])[H:19])([H:15])[H:16])([H:13])[H:14])=[O:5].[H][O:11][C:10]([C:9]([C:8]([C:7]([H:27])([H:28])[H:29])([H:25])[H:26])([H:23])[H:24])([H:21])[H:22]>>[C:1]([C:2]([C:3]([C:4](=[O:5])[O:11][C:10]([C:9]([C:8]([C:7]([H:27])([H:28])[H:29])([H:25])[H:26])([H:23])[H:24])([H:21])[H:22])([H:13])[H:14])([H:15])[H:16])([H:17])([H:18])[H:19]
Derived Operators
EVODEX.1-F33 - Elemental Balance
| O | -1 |
| H | -2 |
EVODEX.1-M4 - Mass Difference
-18.010559999999998
EVODEX.1-E490 - Reaction Operator E
[#6:5]-[#8:7]-[H].[#6:11](-[#6@@:9])(=[#8:12])-[#8]-[H]>>[#6:5]-[#8:7]-[#6:11](-[#6@@:9])=[#8:12]
EVODEX.1-N640 - Reaction Operator N
[H]-[#8:7]-[#6:5].[H]-[#8]-[#6:11](-[#6@@:9])=[#8:12]>>[#6:5]-[#8:7]-[#6:11](-[#6@@:9])=[#8:12]
EVODEX.1-Em606 - Reaction Operator Em
[H]-[#8:7]-[#6:5].[H]-[#8]-[#6:11](-[#6:9])=[#8:12]>>[#6:5]-[#8:7]-[#6:11](-[#6:9])=[#8:12]
EVODEX.1-Nm541 - Reaction Operator Nm
[H]-[#8:7]-[#6:5].[H]-[#8]-[#6:11](-[#6:9])=[#8:12]>>[#6:5]-[#8:7]-[#6:11](-[#6:9])=[#8:12]
Source Full Reactions
EVODEX.1-R4867
[C:1]([C:2]([C:3]([C:4](=[O:5])[O:6][H:12])([H:13])[H:14])([H:15])[H:16])([H:17])([H:18])[H:19].[H][O:11][C:10]([C:9]([C:8]([C:7]([H:27])([H:28])[H:29])([H:25])[H:26])([H:23])[H:24])([H:21])[H:22]>>[C:1]([C:2]([C:3]([C:4](=[O:5])[O:11][C:10]([C:9]([C:8]([C:7]([H:27])([H:28])[H:29])([H:25])[H:26])([H:23])[H:24])([H:21])[H:22])([H:13])[H:14])([H:15])[H:16])([H:17])([H:18])[H:19].[H][O:6][H:12]