SMIRKS
[H]OP(=O)(O[H])OP(=O)(O[H])O[C:4]([C:2]([C:1]([H:32])([H:33])[H:34])=[O:3])([H:30])[H:31]>>[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C1:C([H]):C([H]):C(O[H]):C([H]):C:1[C:4]([C:2]([C:1]([H:32])([H:33])[H:34])=[O:3])([H:30])[H:31]
Derived Operators
EVODEX.1-F415 - Elemental Balance
| P | -2 |
| O | -4 |
| C | 9 |
| N | 1 |
| H | 7 |
EVODEX.1-M404 - Mass Difference
3.1307100000000005
EVODEX.1-E1223 - Reaction Operator E
[#6:2]-[#6:3](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])(-[H:29])-[H:30]>>[#6:2]-[#6:3](-[#6]1:[#6](-[#6](-[#6@](-[#7](-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H]):[#6](-[H]):[#6](-[H]):[#6](-[#8]-[H]):[#6]:1-[H])(-[H:29])-[H:30]
EVODEX.1-C399 - Reaction Operator C
[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6:4]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#8]-[H]):[#6](-[H]):[#6]:1-[#6:4]
EVODEX.1-N479 - Reaction Operator N
[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6:4](-[#6:2])(-[H:30])-[H:31]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#8]-[H]):[#6](-[H]):[#6]:1-[#6:4](-[#6:2])(-[H:30])-[H:31]
Source Full Reactions
EVODEX.1-R3310
[C:1]([C:2](=[O:3])[C:4]([O:5][P:6](=[O:7])([O:8][H:27])[O:9][P:10](=[O:11])([O:12][H:28])[O:13][H:29])([H:30])[H:31])([H:32])([H:33])[H:34].[H][C:18]1:[C:17]([C:16]([C@:15]([N:14]([H:44])[H:45])([C:24](=[O:25])[O:26][H:42])[H:43])([H:40])[H:41]):[C:23]([H:39]):[C:22]([H:38]):[C:20]([O:21][H:37]):[C:19]:1[H:36]>>[C:1]([C:2](=[O:3])[C:4]([C:18]1:[C:17]([C:16]([C@:15]([N:14]([H:44])[H:45])([C:24](=[O:25])[O:26][H:42])[H:43])([H:40])[H:41]):[C:23]([H:39]):[C:22]([H:38]):[C:20]([O:21][H:37]):[C:19]:1[H:36])([H:30])[H:31])([H:32])([H:33])[H:34].[H][O:5][P:6](=[O:7])([O:8][H:27])[O:9][P:10](=[O:11])([O:12][H:28])[O:13][H:29]