SMIRKS
[H]OC([H])([H])C(=O)[C@]([H])(O[H])[C:7]([O:8][H])([C:9]([O:10][C:11]([C:12]1:[C:13]([H:23]):[C:14]([H:24]):[C:15]([H:25]):[C:16]([H:26]):[C:17]:1[H:27])([H:28])[H:29])([H:30])[H:31])[H:32]>>[C:7](=[O:8])([C:9]([O:10][C:11]([C:12]1:[C:13]([H:23]):[C:14]([H:24]):[C:15]([H:25]):[C:16]([H:26]):[C:17]:1[H:27])([H:28])[H:29])([H:30])[H:31])[H:32]
Derived Operators
EVODEX.1-F53 - Elemental Balance
| O | -3 |
| C | -3 |
| H | -6 |
EVODEX.1-M212 - Mass Difference
-90.03168000000001
EVODEX.1-E575 - Reaction Operator E
[#6:4]-[#6:5](-[#8:6]-[H])(-[#6@@](-[#8]-[H])(-[#6](=[#8])-[#6](-[#8]-[H])(-[H])-[H])-[H])-[H:19]>>[#6:4]-[#6:5](=[#8:6])-[H:19]
EVODEX.1-C270 - Reaction Operator C
[H]-[#8]-[#6](-[H])(-[H])-[#6](=[#8])-[#6@](-[H])(-[#8]-[H])-[#6:5]-[#8:6]-[H]>>[#6:5]=[#8:6]
EVODEX.1-N297 - Reaction Operator N
[H]-[#8]-[#6](-[H])(-[H])-[#6](=[#8])-[#6@](-[H])(-[#8]-[H])-[#6:5](-[#6:4])(-[#8:6]-[H])-[H:19]>>[#6:4]-[#6:5](=[#8:6])-[H:19]
EVODEX.1-Em87 - Reaction Operator Em
[#6]-[#6](-[H])(-[#8])-[#6:5](-[#6:4])-[#8:6]-[H]>>[#6:4]-[#6:5]=[#8:6]
EVODEX.1-Nm123 - Reaction Operator Nm
[#6]-[#6](-[H])(-[#8])-[#6:5](-[#6:4])-[#8:6]-[H]>>[#6:4]-[#6:5]=[#8:6]
Source Full Reactions
EVODEX.1-R6870
[H][O:8][C:7]([C@:5]([C:2](=[O:1])[C:3]([O:4][H:18])([H:19])[H:20])([O:6][H:21])[H:33])([C:9]([O:10][C:11]([C:12]1:[C:13]([H:23]):[C:14]([H:24]):[C:15]([H:25]):[C:16]([H:26]):[C:17]:1[H:27])([H:28])[H:29])([H:30])[H:31])[H:32]>>[C:7](=[O:8])([C:9]([O:10][C:11]([C:12]1:[C:13]([H:23]):[C:14]([H:24]):[C:15]([H:25]):[C:16]([H:26]):[C:17]:1[H:27])([H:28])[H:29])([H:30])[H:31])[H:32].[H][C:5]([C:2](=[O:1])[C:3]([O:4][H:18])([H:19])[H:20])([O:6][H:21])[H:33]