SMIRKS
[H][O:3][C:2]([C:1]([H:30])([H:31])[H:32])([H:28])[H:29].[H]OC([H])([H])[C@@]1([H])O[C@]([H])(O[C@:8]2([C:9]([O:10][H:34])([H:35])[H:36])[O:7][C@@:6]([C:5]([O:4][H:54])([H:52])[H:53])([H:33])[C@:25]([O:26][H:50])([H:51])[C@@:23]2([O:24][H:48])[H:49])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]>>[C:1]([C:2]([O:3][C@:8]1([C:9]([O:10][H:34])([H:35])[H:36])[O:7][C@@:6]([C:5]([O:4][H:54])([H:52])[H:53])([H:33])[C@:25]([O:26][H:50])([H:51])[C@@:23]1([O:24][H:48])[H:49])([H:28])[H:29])([H:30])([H:31])[H:32]
Derived Operators
EVODEX.1-F318 - Elemental Balance
| C | -6 |
| O | -6 |
| H | -12 |
EVODEX.1-M52 - Mass Difference
-180.06336000000002
EVODEX.1-E1101 - Reaction Operator E
[#6:6]-[#8:7]-[H].[#8:49]1-[#6@@:48]-[#6@:67](-[#6@@:65](-[#6@:50]-1(-[#6:51])-[#8]-[#6@@]1(-[H])-[#8]-[#6@@](-[#6](-[#8]-[H])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[#8:66])-[H:127])(-[#8:68])-[H:129]>>[#6:6]-[#8:7]-[#6@@:50]1(-[#6:51])-[#8:49]-[#6@@:48]-[#6@:67](-[#8:68])(-[H:129])-[#6@@:65]-1(-[#8:66])-[H:127]
EVODEX.1-C45 - Reaction Operator C
[H]-[#8]-[#6](-[H])(-[H])-[#6]1(-[H])-[#8]-[#6](-[H])(-[#8]-[#6:20])-[#6](-[H])(-[#8]-[H])-[#6](-[H])(-[#8]-[H])-[#6]-1(-[H])-[#8]-[H].[H]-[#8:50]>>[#6:20]-[#8:50]
EVODEX.1-N1311 - Reaction Operator N
[H]-[#8:3]-[#6:2].[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@](-[H])(-[#8]-[#6@:8](-[#6:9])(-[#8:7])-[#6@@:23])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H]>>[#6:2]-[#8:3]-[#6@:8](-[#6:9])(-[#8:7])-[#6@@:23]
EVODEX.1-Em495 - Reaction Operator Em
[H]-[#8:7]-[#6:6].[#6]-[#8]-[#6:50](-[#6:51])(-[#8:49])-[#6:65]>>[#6:6]-[#8:7]-[#6:50](-[#6:51])(-[#8:49])-[#6:65]
EVODEX.1-Nm446 - Reaction Operator Nm
[H]-[#8:7]-[#6:6].[#6]-[#8]-[#6:50](-[#6:51])(-[#8:49])-[#6:65]>>[#6:6]-[#8:7]-[#6:50](-[#6:51])(-[#8:49])-[#6:65]
Source Full Reactions
EVODEX.1-R3024
[H][O:3][C:2]([C:1]([H:30])([H:31])[H:32])([H:28])[H:29].[O:4]([C:5]([C@@:6]1([H:33])[O:7][C@@:8]([C:9]([O:10][H:34])([H:35])[H:36])([O:11][C@@:12]2([H:37])[O:13][C@@:14]([C:15]([O:16][H:38])([H:39])[H:40])([H:41])[C@:17]([O:18][H:42])([H:43])[C@@:19]([O:20][H:44])([H:45])[C@:21]2([O:22][H:46])[H:47])[C@:23]([O:24][H:48])([H:49])[C@@:25]1([O:26][H:50])[H:51])([H:52])[H:53])[H:54]>>[C:1]([C:2]([O:3][C@:8]1([C:9]([O:10][H:34])([H:35])[H:36])[O:7][C@@:6]([C:5]([O:4][H:54])([H:52])[H:53])([H:33])[C@:25]([O:26][H:50])([H:51])[C@@:23]1([O:24][H:48])[H:49])([H:28])[H:29])([H:30])([H:31])[H:32].[H][O:11][C:12]1([H:37])[O:13][C@@:14]([C:15]([O:16][H:38])([H:39])[H:40])([H:41])[C@:17]([O:18][H:42])([H:43])[C@@:19]([O:20][H:44])([H:45])[C@:21]1([O:22][H:46])[H:47]