SMIRKS
[H]OC([H])([H])[C@]1([H])O[C@@]([H])([O:7][C@:8]2([H:33])[C@:9]([O:10][H:34])([H:35])[C@@:11]([O:12][C@:13]3([H:36])[C:14]([H:37])([H:38])[O:15][C@:16]([O:17][H:39])([H:40])[C@@:18]([O:19][H:41])([H:42])[C@:20]3([O:21][H:43])[H:44])([H:45])[O:22][C:23]([H:46])([H:47])[C@:24]2([O:25][H:48])[H:49])[C@]([H])(O[H])[C@@]1([H])O[H]>>[H][O:7][C@:8]1([H:33])[C@:9]([O:10][H:34])([H:35])[C@@:11]([O:12][C@:13]2([H:36])[C:14]([H:37])([H:38])[O:15][C@:16]([O:17][H:39])([H:40])[C@@:18]([O:19][H:41])([H:42])[C@:20]2([O:21][H:43])[H:44])([H:45])[O:22][C:23]([H:46])([H:47])[C@:24]1([O:25][H:48])[H:49]
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-R5351
[H][O:1][H:30].[O:2]([C:3]([C@:4]1([H:32])[O:5][C@:6]([O:7][C@:8]2([H:33])[C@:9]([O:10][H:34])([H:35])[C@@:11]([O:12][C@:13]3([H:36])[C:14]([H:37])([H:38])[O:15][C@:16]([O:17][H:39])([H:40])[C@@:18]([O:19][H:41])([H:42])[C@:20]3([O:21][H:43])[H:44])([H:45])[O:22][C:23]([H:46])([H:47])[C@:24]2([O:25][H:48])[H:49])([H:50])[C@@:26]([O:27][H:51])([H:52])[C@:28]1([O:29][H:53])[H:54])([H:55])[H:56])[H:57]>>[O:1]([C:6]1([H:50])[O:5][C@:4]([C:3]([O:2][H:57])([H:55])[H:56])([H:32])[C@@:28]([O:29][H:53])([H:54])[C@:26]1([O:27][H:51])[H:52])[H:30].[H][O:7][C@:8]1([H:33])[C@:9]([O:10][H:34])([H:35])[C@@:11]([O:12][C@:13]2([H:36])[C:14]([H:37])([H:38])[O:15][C@:16]([O:17][H:39])([H:40])[C@@:18]([O:19][H:41])([H:42])[C@:20]2([O:21][H:43])[H:44])([H:45])[O:22][C:23]([H:46])([H:47])[C@:24]1([O:25][H:48])[H:49]