SMIRKS
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@:2]([C:1]([H:39])([H:40])[H:41])([C:15]2:[C:16]([H:33]):[C:17]([H:34]):[C:18]([H:35]):[C:19]([H:36]):[C:20]:2[H:37])[H:38])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]>>[H]O[C@:2]([C:1]([H:39])([H:40])[H:41])([C:15]1:[C:16]([H:33]):[C:17]([H:34]):[C:18]([H:35]):[C:19]([H:36]):[C:20]:1[H:37])[H:38]
Derived Operators
EVODEX.1-F43 - Elemental Balance
| O | -5 |
| C | -6 |
| H | -10 |
EVODEX.1-M30 - Mass Difference
-162.0528
EVODEX.1-E523 - Reaction Operator E
[#8](-[#6@@:29](-[#6@@:26])(-[H:81])-[#6@@:42])-[#6@]1(-[H])-[#8]-[#6@@](-[#6](-[#8]-[H])(-[H])-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H]>>[#8](-[#6@:29](-[#6@@:26])(-[H:81])-[#6@@:42])-[H]
EVODEX.1-C83 - Reaction Operator C
[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@@](-[H])(-[#8:7])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H]>>[H]-[#8:7]
EVODEX.1-N1379 - Reaction Operator N
[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@@](-[H])(-[#8])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H]>>[H]-[#8]
Source Full Reactions
EVODEX.1-R5211
[C:1]([C@@:2]([O:3][C@:4]1([H:22])[O:5][C@@:6]([C:7]([O:8][H:23])([H:24])[H:25])([H:26])[C@:9]([O:10][H:27])([H:28])[C@@:11]([O:12][H:29])([H:30])[C@:13]1([O:14][H:31])[H:32])([C:15]1:[C:16]([H:33]):[C:17]([H:34]):[C:18]([H:35]):[C:19]([H:36]):[C:20]:1[H:37])[H:38])([H:39])([H:40])[H:41].[H][O:21][H:42]>>[C:1]([C@:2]([C:15]1:[C:16]([H:33]):[C:17]([H:34]):[C:18]([H:35]):[C:19]([H:36]):[C:20]:1[H:37])([O:21][H:42])[H:38])([H:39])([H:40])[H:41].[H][O:3][C@:4]1([H:22])[O:5][C@@:6]([C:7]([O:8][H:23])([H:24])[H:25])([H:26])[C@:9]([O:10][H:27])([H:28])[C@@:11]([O:12][H:29])([H:30])[C@:13]1([O:14][H:31])[H:32]