SMIRKS
[H][O:1][C:2]([C:3]([Cl:4])([H:28])[H:29])([H:30])[H:31].[H]OC([H])([H])[C@@]1(O[C@@:13]2([H:37])[O:14][C@@:15]([C:16]([O:17][H:38])([H:39])[H:40])([H:41])[C@:18]([O:19][H:42])([H:43])[C@@:20]([O:21][H:44])([H:45])[C@:22]2([O:23][H:46])[H:47])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]1([H])O[H]>>[O:1]([C:2]([C:3]([Cl:4])([H:28])[H:29])([H:30])[H:31])[C@@:13]1([H:37])[O:14][C@@:15]([C:16]([O:17][H:38])([H:39])[H:40])([H:41])[C@:18]([O:19][H:42])([H:43])[C@@:20]([O:21][H:44])([H:45])[C@:22]1([O:23][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-R3193
[H][O:1][C:2]([C:3]([Cl:4])([H:28])[H:29])([H:30])[H:31].[O:5]([C:6]([C@@:7]1([H:33])[O:8][C@@:9]([C:10]([O:11][H:34])([H:35])[H:36])([O:12][C@@:13]2([H:37])[O:14][C@@:15]([C:16]([O:17][H:38])([H:39])[H:40])([H:41])[C@:18]([O:19][H:42])([H:43])[C@@:20]([O:21][H:44])([H:45])[C@:22]2([O:23][H:46])[H:47])[C@:24]([O:25][H:48])([H:49])[C@@:26]1([O:27][H:50])[H:51])([H:52])[H:53])[H:54]>>[O:1]([C:2]([C:3]([Cl:4])([H:28])[H:29])([H:30])[H:31])[C@@:13]1([H:37])[O:14][C@@:15]([C:16]([O:17][H:38])([H:39])[H:40])([H:41])[C@:18]([O:19][H:42])([H:43])[C@@:20]([O:21][H:44])([H:45])[C@:22]1([O:23][H:46])[H:47].[H][O:12][C:9]1([C:10]([O:11][H:34])([H:35])[H:36])[O:8][C@@:7]([C:6]([O:5][H:54])([H:52])[H:53])([H:33])[C@:26]([O:27][H:50])([H:51])[C@@:24]1([O:25][H:48])[H:49]