SMIRKS
[H]OC([H])([H])[C@@]1(O[C@@:9]2([H:37])[O:10][C@@:11]([C:12]([O:13][H:38])([H:39])[H:40])([H:41])[C@:14]([O:15][H:42])([H:43])[C@@:16]([O:17][H:44])([H:45])[C@:18]2([O:19][H:46])[H:47])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]1([H])O[H].[H][O:24][C:25]1:[C:26]([F:27]):[C:28]([H:55]):[C:29]([H:56]):[C:30]([H:57]):[C:31]:1[F:32]>>[C@:9]1([O:24][C:25]2:[C:26]([F:27]):[C:28]([H:55]):[C:29]([H:56]):[C:30]([H:57]):[C:31]:2[F:32])([H:37])[O:10][C@@:11]([C:12]([O:13][H:38])([H:39])[H:40])([H:41])[C@:14]([O:15][H:42])([H:43])[C@@:16]([O:17][H:44])([H:45])[C@:18]1([O:19][H:46])[H:47]
Derived Operators
EVODEX.1-F359 - Elemental Balance
| O | -6 |
| C | -6 |
| H | -12 |
EVODEX.1-M41 - Mass Difference
-180.06336000000002
EVODEX.1-E1098 - Reaction Operator E
[#8](-[#6](-[#6@@]1(-[H])-[#8]-[#6@@](-[#6](-[#8]-[H])(-[H])-[H])(-[#8]-[#6@@:9](-[H:45])(-[#8:10])-[#6@:18])-[#6@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H])(-[H])-[H])-[H].[#6:33]-[#8:34]-[H]>>[#8:34](-[#6@@:9](-[H:45])(-[#8:10])-[#6@:18])-[#6:33]
EVODEX.1-C385 - Reaction Operator C
[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[#8]-[#6@@:9])-[#8]-[#6@](-[H])(-[#6](-[H])(-[H])-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H].[H]-[#8:34]>>[#8:34]-[#6@@:9]
EVODEX.1-N459 - Reaction Operator N
[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[#8]-[#6@@:9](-[H:45])(-[#8:10])-[#6@:18])-[#8]-[#6@](-[H])(-[#6](-[H])(-[H])-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H].[H]-[#8:34]-[#6:33]>>[#8:34](-[#6@@:9](-[H:45])(-[#8:10])-[#6@:18])-[#6:33]
EVODEX.1-Em101 - Reaction Operator Em
[#6]-[#8]-[#6:9](-[#8:10])-[#6:18].[H]-[#8:34]-[#6:33]>>[#6:9](-[#8:34]-[#6:33])(-[#8:10])-[#6:18]
EVODEX.1-Nm134 - Reaction Operator Nm
[#6]-[#8]-[#6:9](-[#8:10])-[#6:18].[H]-[#8:34]-[#6:33]>>[#6:9](-[#8:34]-[#6:33])(-[#8:10])-[#6:18]
Source Full Reactions
EVODEX.1-R3214
[O:1]([C:2]([C@@:3]1([H:33])[O:4][C@@:5]([C:6]([O:7][H:34])([H:35])[H:36])([O:8][C@@:9]2([H:37])[O:10][C@@:11]([C:12]([O:13][H:38])([H:39])[H:40])([H:41])[C@:14]([O:15][H:42])([H:43])[C@@:16]([O:17][H:44])([H:45])[C@:18]2([O:19][H:46])[H:47])[C@:20]([O:21][H:48])([H:49])[C@@:22]1([O:23][H:50])[H:51])([H:52])[H:53])[H:54].[H][O:24][C:25]1:[C:26]([F:27]):[C:28]([H:55]):[C:29]([H:56]):[C:30]([H:57]):[C:31]:1[F:32]>>[C@:9]1([O:24][C:25]2:[C:26]([F:27]):[C:28]([H:55]):[C:29]([H:56]):[C:30]([H:57]):[C:31]:2[F:32])([H:37])[O:10][C@@:11]([C:12]([O:13][H:38])([H:39])[H:40])([H:41])[C@:14]([O:15][H:42])([H:43])[C@@:16]([O:17][H:44])([H:45])[C@:18]1([O:19][H:46])[H:47].[H][O:8][C:5]1([C:6]([O:7][H:34])([H:35])[H:36])[O:4][C@@:3]([C:2]([O:1][H:54])([H:52])[H:53])([H:33])[C@:22]([O:23][H:50])([H:51])[C@@:20]1([O:21][H:48])[H:49]