SMIRKS
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@@:4]([C:3](=[O:2])[H:42])([C@@:17]([O:18][H:34])([C@:19]([O:20][H:35])([C:21]([O:22][H:36])([H:37])[H:38])[H:39])[H:40])[H:41])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]>>[H]O[C@@:4]([C:3](=[O:2])[H:42])([C@@:17]([O:18][H:34])([C@:19]([O:20][H:35])([C:21]([O:22][H:36])([H:37])[H:38])[H:39])[H:40])[H:41]
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-R5170
[O:2]=[C:3]([C@:4]([O:5][C@:6]1([H:23])[O:7][C@@:8]([C:9]([O:10][H:24])([H:25])[H:26])([H:27])[C@@:11]([O:12][H:28])([H:29])[C@@:13]([O:14][H:30])([H:31])[C@:15]1([O:16][H:32])[H:33])([C@@:17]([O:18][H:34])([C@:19]([O:20][H:35])([C:21]([O:22][H:36])([H:37])[H:38])[H:39])[H:40])[H:41])[H:42].[H][O:1][H:43]>>[O:1]([C@@:4]([C:3](=[O:2])[H:42])([C@@:17]([O:18][H:34])([C@:19]([O:20][H:35])([C:21]([O:22][H:36])([H:37])[H:38])[H:39])[H:40])[H:41])[H:43].[H][O:5][C:6]1([H:23])[O:7][C@@:8]([C:9]([O:10][H:24])([H:25])[H:26])([H:27])[C@@:11]([O:12][H:28])([H:29])[C@@:13]([O:14][H:30])([H:31])[C@:15]1([O:16][H:32])[H:33]