SMIRKS
[H][O:5][C:4]([C:3]([C:2]([C:1]([H:36])([H:37])[H:38])([H:34])[H:35])([H:32])[H:33])([H:30])[H:31].[H]OC([H])([H])[C@@]1(O[C@@:14]2([H:43])[O:15][C@@:16]([C:17]([O:18][H:44])([H:45])[H:46])([H:47])[C@:19]([O:20][H:48])([H:49])[C@@:21]([O:22][H:50])([H:51])[C@:23]2([O:24][H:52])[H:53])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]1([H])O[H]>>[C:1]([C:2]([C:3]([C:4]([O:5][C@@:14]1([H:43])[O:15][C@@:16]([C:17]([O:18][H:44])([H:45])[H:46])([H:47])[C@:19]([O:20][H:48])([H:49])[C@@:21]([O:22][H:50])([H:51])[C@:23]1([O:24][H:52])[H:53])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([H:36])([H:37])[H:38]
Derived Operators
EVODEX.1-F318 - Elemental Balance
| C | -6 |
| O | -6 |
| H | -12 |
EVODEX.1-M52 - 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-R3195
[H][O:5][C:4]([C:3]([C:2]([C:1]([H:36])([H:37])[H:38])([H:34])[H:35])([H:32])[H:33])([H:30])[H:31].[O:6]([C:7]([C@@:8]1([H:39])[O:9][C@@:10]([C:11]([O:12][H:40])([H:41])[H:42])([O:13][C@@:14]2([H:43])[O:15][C@@:16]([C:17]([O:18][H:44])([H:45])[H:46])([H:47])[C@:19]([O:20][H:48])([H:49])[C@@:21]([O:22][H:50])([H:51])[C@:23]2([O:24][H:52])[H:53])[C@:25]([O:26][H:54])([H:55])[C@@:27]1([O:28][H:56])[H:57])([H:58])[H:59])[H:60]>>[C:1]([C:2]([C:3]([C:4]([O:5][C@@:14]1([H:43])[O:15][C@@:16]([C:17]([O:18][H:44])([H:45])[H:46])([H:47])[C@:19]([O:20][H:48])([H:49])[C@@:21]([O:22][H:50])([H:51])[C@:23]1([O:24][H:52])[H:53])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([H:36])([H:37])[H:38].[H][O:13][C:10]1([C:11]([O:12][H:40])([H:41])[H:42])[O:9][C@@:8]([C:7]([O:6][H:60])([H:58])[H:59])([H:39])[C@:27]([O:28][H:56])([H:57])[C@@:25]1([O:26][H:54])[H:55]