SMIRKS
[H]OC([H])([H])[C@]1([H])O[C@@]([H])([O:7][C:8]([C@:9]2([H:24])[O:10][C@:11]([O:12][H:25])([H:26])[C@@:13]([O:14][H:27])([H:28])[C@:15]2([O:16][H:29])[H:30])([H:31])[H:32])[C@]([H])(O[H])[C@@]1([H])O[H]>>[H][O:7][C:8]([C@:9]1([H:24])[O:10][C@:11]([O:12][H:25])([H:26])[C@@:13]([O:14][H:27])([H:28])[C@:15]1([O:16][H:29])[H:30])([H:31])[H:32]
Derived Operators
EVODEX.1-F144 - Elemental Balance
| O | -4 |
| C | -5 |
| H | -8 |
EVODEX.1-M115 - Mass Difference
-132.04224
EVODEX.1-E801 - Reaction Operator E
[#6:1]-[#8:2]-[#6@@]1(-[H])-[#8]-[#6@@](-[#6](-[#8]-[H])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H]>>[#6:1]-[#8:2]-[H]
EVODEX.1-C541 - Reaction Operator C
[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@](-[H])(-[#8:2])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H]>>[H]-[#8:2]
EVODEX.1-N690 - Reaction Operator N
[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@](-[H])(-[#8:2]-[#6:1])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H]>>[H]-[#8:2]-[#6:1]
Source Full Reactions
EVODEX.1-R5347
[H][O:1][H:21].[O:2]([C:3]([C@:4]1([H:23])[O:5][C@:6]([O:7][C:8]([C@:9]2([H:24])[O:10][C@:11]([O:12][H:25])([H:26])[C@@:13]([O:14][H:27])([H:28])[C@:15]2([O:16][H:29])[H:30])([H:31])[H:32])([H:33])[C@@:17]([O:18][H:34])([H:35])[C@:19]1([O:20][H:36])[H:37])([H:38])[H:39])[H:40]>>[O:1]([C@:6]1([H:33])[O:5][C@:4]([C:3]([O:2][H:40])([H:38])[H:39])([H:23])[C@@:19]([O:20][H:36])([H:37])[C@:17]1([O:18][H:34])[H:35])[H:21].[H][O:7][C:8]([C@:9]1([H:24])[O:10][C@:11]([O:12][H:25])([H:26])[C@@:13]([O:14][H:27])([H:28])[C@:15]1([O:16][H:29])[H:30])([H:31])[H:32]