SMIRKS
[H]OC([H])([H])[C@@]1(O[C@@:9]2([H:45])[O:10][C@@:11]([C:12]([O:13][H:46])([H:47])[H:48])([H:49])[C@:14]([O:15][H:50])([H:51])[C@@:16]([O:17][H:52])([H:53])[C@:18]2([O:19][H:54])[H:55])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]1([H])O[H].[H][O:34][C:33]1:[C:32]([H:65]):[C:31]([C:30](=[C:29]([C:28]2:[C:27]([H:64]):[C:26]([H:63]):[C:25]([O:24][H:74]):[C:40]([H:73]):[C:39]:2[H:72])[H:71])[H:70]):[C:38]([H:69]):[C:36]([O:37][H:68]):[C:35]:1[H:67]>>[C@:9]1([O:34][C:33]2:[C:32]([H:65]):[C:31]([C:30](=[C:29]([C:28]3:[C:27]([H:64]):[C:26]([H:63]):[C:25]([O:24][H:74]):[C:40]([H:73]):[C:39]:3[H:72])[H:71])[H:70]):[C:38]([H:69]):[C:36]([O:37][H:68]):[C:35]:2[H:67])([H:45])[O:10][C@@:11]([C:12]([O:13][H:46])([H:47])[H:48])([H:49])[C@:14]([O:15][H:50])([H:51])[C@@:16]([O:17][H:52])([H:53])[C@:18]1([O:19][H:54])[H:55]
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-R3219
[O:1]([C:2]([C@@:3]1([H:41])[O:4][C@@:5]([C:6]([O:7][H:42])([H:43])[H:44])([O:8][C@@:9]2([H:45])[O:10][C@@:11]([C:12]([O:13][H:46])([H:47])[H:48])([H:49])[C@:14]([O:15][H:50])([H:51])[C@@:16]([O:17][H:52])([H:53])[C@:18]2([O:19][H:54])[H:55])[C@:20]([O:21][H:56])([H:57])[C@@:22]1([O:23][H:58])[H:59])([H:60])[H:61])[H:62].[H][O:34][C:33]1:[C:32]([H:65]):[C:31]([C:30](=[C:29]([C:28]2:[C:27]([H:64]):[C:26]([H:63]):[C:25]([O:24][H:74]):[C:40]([H:73]):[C:39]:2[H:72])[H:71])[H:70]):[C:38]([H:69]):[C:36]([O:37][H:68]):[C:35]:1[H:67]>>[C@:9]1([O:34][C:33]2:[C:32]([H:65]):[C:31]([C:30](=[C:29]([C:28]3:[C:27]([H:64]):[C:26]([H:63]):[C:25]([O:24][H:74]):[C:40]([H:73]):[C:39]:3[H:72])[H:71])[H:70]):[C:38]([H:69]):[C:36]([O:37][H:68]):[C:35]:2[H:67])([H:45])[O:10][C@@:11]([C:12]([O:13][H:46])([H:47])[H:48])([H:49])[C@:14]([O:15][H:50])([H:51])[C@@:16]([O:17][H:52])([H:53])[C@:18]1([O:19][H:54])[H:55].[H][O:8][C:5]1([C:6]([O:7][H:42])([H:43])[H:44])[O:4][C@@:3]([C:2]([O:1][H:62])([H:60])[H:61])([H:41])[C@:22]([O:23][H:58])([H:59])[C@@:20]1([O:21][H:56])[H:57]