SMIRKS
[H]O[C@@]1([H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])OP(=O)(O[H])O[H])O[C@@]([H])([O:11][C:12]2:[C:13]([H:28]):[C:14]([H:29]):[C:15]([O:16][H:30]):[C:17]([H:31]):[C:18]:2[H:32])[C@]1([H])O[H]>>[H][O:11][C:12]1:[C:13]([H:28]):[C:14]([H:29]):[C:15]([O:16][H:30]):[C:17]([H:31]):[C:18]:1[H:32]
Derived Operators
EVODEX.1-F463 - Elemental Balance
| C | -6 |
| P | -1 |
| O | -8 |
| H | -11 |
EVODEX.1-M444 - Mass Difference
-242.01913
EVODEX.1-E1274 - Reaction Operator E
[#8]=[#15](-[#8]-[H])(-[#8]-[H])-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6@](-[#8:11]-[#6@:12])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H])(-[H])-[H]>>[#8:11](-[#6@:12])-[H]
EVODEX.1-C527 - Reaction Operator C
[H]-[#8]-[#6@@]1(-[H])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#8]-[#6@@](-[H])(-[#8:11])-[#6@]-1(-[H])-[#8]-[H]>>[H]-[#8:11]
EVODEX.1-N671 - Reaction Operator N
[H]-[#8]-[#6@@]1(-[H])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#8]-[#6@@](-[H])(-[#8:11]-[#6@:12])-[#6@]-1(-[H])-[#8]-[H]>>[H]-[#8:11]-[#6@:12]
Source Full Reactions
EVODEX.1-R5364
[O:2]=[P:3]([O:4][H:25])([O:5][H:26])[O:6][C:7]([C@@:8]1([H:27])[O:9][C@:10]([O:11][C:12]2:[C:13]([H:28]):[C:14]([H:29]):[C:15]([O:16][H:30]):[C:17]([H:31]):[C:18]:2[H:32])([H:33])[C@@:19]([O:20][H:34])([H:35])[C@:21]([O:22][H:36])([H:37])[C@@:23]1([O:24][H:38])[H:39])([H:40])[H:41].[H][O:1][H:42]>>[H][O:11][C:12]1:[C:13]([H:28]):[C:14]([H:29]):[C:15]([O:16][H:30]):[C:17]([H:31]):[C:18]:1[H:32].[O:1]([C:10]1([H:33])[O:9][C@@:8]([C:7]([O:6][P:3](=[O:2])([O:4][H:25])[O:5][H:26])([H:40])[H:41])([H:27])[C@:23]([O:24][H:38])([H:39])[C@@:21]([O:22][H:36])([H:37])[C@:19]1([O:20][H:34])[H:35])[H:42]