SMIRKS
[H]OC([H])([H])[C@@]1([H])O[C@]([H])(O[C@:15]2([C:16]([O:17][H:35])([H:36])[H:37])[O:14][C@@:13]([C:12]([O:11][H:55])([H:53])[H:54])([H:34])[C@:32]([O:33][H:51])([H:52])[C@@:30]2([O:31][H:49])[H:50])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H].[H][O:6][C:5]1([H:58])[O:4][C@@:3]([C:2]([O:1][H:65])([H:63])[H:64])([H:56])[C@:9]([O:10][H:61])([H:62])[C@:7]1([O:8][H:59])[H:60]>>[O:1]([C:2]([C@@:3]1([H:56])[O:4][C:5]([O:6][C@@:15]2([C:16]([O:17][H:35])([H:36])[H:37])[O:14][C@@:13]([C:12]([O:11][H:55])([H:53])[H:54])([H:34])[C@:32]([O:33][H:51])([H:52])[C@@:30]2([O:31][H:49])[H:50])([H:58])[C@@:7]([O:8][H:59])([H:60])[C@@:9]1([O:10][H:61])[H:62])([H:63])[H:64])[H:65]
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-C1063 - Reaction Operator C
([H]-[#8:7].[#6@:44]-[#6@@:42]).[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@](-[H])(-[#8]-[#6@:50])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H]>>([#8:7]-[#6@@:50].[#6@:42]-[#6@@:44])
EVODEX.1-N1549 - Reaction Operator N
[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@](-[H])(-[#8]-[#6@:15](-[#6:16])(-[#8:14])-[#6@@:30])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H].[H]-[#8:6]-[#6:5]-[#6@@:7](-[#6@@:9](-[#6@@:3])(-[#8:10])-[H:62])(-[#8:8])-[H:60]>>[#6:5](-[#8:6]-[#6@@:15](-[#6:16])(-[#8:14])-[#6@@:30])-[#6@@:7](-[#8:8])(-[H:60])-[#6@@:9](-[#6@@:3])(-[#8:10])-[H:62]
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-R3022
[O:11]([C:12]([C@@:13]1([H:34])[O:14][C@@:15]([C:16]([O:17][H:35])([H:36])[H:37])([O:18][C@@:19]2([H:38])[O:20][C@@:21]([C:22]([O:23][H:39])([H:40])[H:41])([H:42])[C@:24]([O:25][H:43])([H:44])[C@@:26]([O:27][H:45])([H:46])[C@:28]2([O:29][H:47])[H:48])[C@:30]([O:31][H:49])([H:50])[C@@:32]1([O:33][H:51])[H:52])([H:53])[H:54])[H:55].[H][O:6][C:5]1([H:58])[O:4][C@@:3]([C:2]([O:1][H:65])([H:63])[H:64])([H:56])[C@:9]([O:10][H:61])([H:62])[C@:7]1([O:8][H:59])[H:60]>>[H][O:18][C:19]1([H:38])[O:20][C@@:21]([C:22]([O:23][H:39])([H:40])[H:41])([H:42])[C@:24]([O:25][H:43])([H:44])[C@@:26]([O:27][H:45])([H:46])[C@:28]1([O:29][H:47])[H:48].[O:1]([C:2]([C@@:3]1([H:56])[O:4][C:5]([O:6][C@@:15]2([C:16]([O:17][H:35])([H:36])[H:37])[O:14][C@@:13]([C:12]([O:11][H:55])([H:53])[H:54])([H:34])[C@:32]([O:33][H:51])([H:52])[C@@:30]2([O:31][H:49])[H:50])([H:58])[C@@:7]([O:8][H:59])([H:60])[C@@:9]1([O:10][H:61])[H:62])([H:63])[H:64])[H:65]