SMIRKS
[H][O:3][C:2](=[O:1])[C@:4]([O:5][H:38])([C@@:6]([O:7][H:39])([C@:8]([O:9][H:40])([C@:10]([O:11][H:41])([C:12]([O:13][H:42])([H:43])[H:44])[H:45])[H:46])[H:47])[H:48].[H]OC([H])([H])[C@@]1([H])O[C@]([H])(O[C@:18]2([C:19]([O:20][H:50])([H:51])[H:52])[O:17][C@@:16]([C:15]([O:14][H:70])([H:68])[H:69])([H:49])[C@:35]([O:36][H:66])([H:67])[C@@:33]2([O:34][H:64])[H:65])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]>>[O:1]=[C:2]([O:3][C@@:18]1([C:19]([O:20][H:50])([H:51])[H:52])[O:17][C@@:16]([C:15]([O:14][H:70])([H:68])[H:69])([H:49])[C@:35]([O:36][H:66])([H:67])[C@@:33]1([O:34][H:64])[H:65])[C@:4]([O:5][H:38])([C@@:6]([O:7][H:39])([C@:8]([O:9][H:40])([C@:10]([O:11][H:41])([C:12]([O:13][H:42])([H:43])[H:44])[H:45])[H:46])[H:47])[H:48]
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-R3021
[H][O:3][C:2](=[O:1])[C@:4]([O:5][H:38])([C@@:6]([O:7][H:39])([C@:8]([O:9][H:40])([C@:10]([O:11][H:41])([C:12]([O:13][H:42])([H:43])[H:44])[H:45])[H:46])[H:47])[H:48].[O:14]([C:15]([C@@:16]1([H:49])[O:17][C@@:18]([C:19]([O:20][H:50])([H:51])[H:52])([O:21][C@@:22]2([H:53])[O:23][C@@:24]([C:25]([O:26][H:54])([H:55])[H:56])([H:57])[C@:27]([O:28][H:58])([H:59])[C@@:29]([O:30][H:60])([H:61])[C@:31]2([O:32][H:62])[H:63])[C@:33]([O:34][H:64])([H:65])[C@@:35]1([O:36][H:66])[H:67])([H:68])[H:69])[H:70]>>[O:1]=[C:2]([O:3][C@@:18]1([C:19]([O:20][H:50])([H:51])[H:52])[O:17][C@@:16]([C:15]([O:14][H:70])([H:68])[H:69])([H:49])[C@:35]([O:36][H:66])([H:67])[C@@:33]1([O:34][H:64])[H:65])[C@:4]([O:5][H:38])([C@@:6]([O:7][H:39])([C@:8]([O:9][H:40])([C@:10]([O:11][H:41])([C:12]([O:13][H:42])([H:43])[H:44])[H:45])[H:46])[H:47])[H:48].[H][O:21][C:22]1([H:53])[O:23][C@@:24]([C:25]([O:26][H:54])([H:55])[H:56])([H:57])[C@:27]([O:28][H:58])([H:59])[C@@:29]([O:30][H:60])([H:61])[C@:31]1([O:32][H:62])[H:63]