SMIRKS
[H][O:13][C@:12]1([H:52])[C@:4]([C:2](=[O:1])[O:3][H:43])([H:44])[O:5][C:6]([O:7][H:45])([H:46])[C@@:8]([O:9][H:47])([H:48])[C@:10]1([O:11][H:49])[H:50]>>[H]OC([H])([H])[C@@]1([H])O[C@@]([H])([O:13][C@:12]2([H:52])[C@:4]([C:2](=[O:1])[O:3][H:43])([H:44])[O:5][C:6]([O:7][H:45])([H:46])[C@@:8]([O:9][H:47])([H:48])[C@:10]2([O:11][H:49])[H:50])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
Derived Operators
EVODEX.1-F44 - Elemental Balance
| O | 5 |
| C | 6 |
| H | 10 |
EVODEX.1-M15 - Mass Difference
162.0528
EVODEX.1-E525 - Reaction Operator E
[#8:4](-[#6@@:3])-[H]>>[#8:4](-[#6@@:3])-[#6@]1(-[H])-[#8]-[#6@@](-[#6](-[#8]-[H])(-[H])-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H]
EVODEX.1-C24 - Reaction Operator C
[H]-[#8:20]>>[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6](-[H])(-[#8:20])-[#6@@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H]
EVODEX.1-N9 - Reaction Operator N
[H]-[#8:48]-[#6@:47]>>[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@@](-[H])(-[#8:48]-[#6@:47])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H]
Source Full Reactions
EVODEX.1-R3152
[O:14]=[P:15]([O:16][H:30])([O:17][H:31])[O:18][C@@:19]1([H:32])[O:20][C@@:21]([C:22]([O:23][H:33])([H:34])[H:35])([H:36])[C@:24]([O:25][H:37])([H:38])[C@@:26]([O:27][H:39])([H:40])[C@:28]1([O:29][H:41])[H:42].[H][O:13][C@:12]1([H:52])[C@:4]([C:2](=[O:1])[O:3][H:43])([H:44])[O:5][C:6]([O:7][H:45])([H:46])[C@@:8]([O:9][H:47])([H:48])[C@:10]1([O:11][H:49])[H:50]>>[H][O:18][P:15](=[O:14])([O:16][H:30])[O:17][H:31].[O:1]=[C:2]([O:3][H:43])[C@@:4]1([H:44])[O:5][C:6]([O:7][H:45])([H:46])[C@@:8]([O:9][H:47])([H:48])[C@:10]([O:11][H:49])([H:50])[C@@:12]1([O:13][C@:19]1([H:32])[O:20][C@@:21]([C:22]([O:23][H:33])([H:34])[H:35])([H:36])[C@:24]([O:25][H:37])([H:38])[C@@:26]([O:27][H:39])([H:40])[C@:28]1([O:29][H:41])[H:42])[H:52]