SMIRKS
[H]OP(=O)(O[H])OP(=O)(O[H])O[C:5]([C:4](=[C:3]([C:2](=[C:1]([H:36])[H:37])[H:35])[H:34])[H:33])([H:31])[H:32]>>[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C1:C([H]):C([H]):C(O[H]):C([H]):C:1[C:5]([C:4](=[C:3]([C:2](=[C:1]([H:36])[H:37])[H:35])[H:34])[H:33])([H:31])[H:32]
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-R3306
[C:1](=[C:2]([C:3](=[C:4]([C:5]([O:6][P:7](=[O:8])([O:9][H:28])[O:10][P:11](=[O:12])([O:13][H:29])[O:14][H:30])([H:31])[H:32])[H:33])[H:34])[H:35])([H:36])[H:37].[H][C:19]1:[C:18]([C:17]([C@:16]([N:15]([H:47])[H:48])([C:25](=[O:26])[O:27][H:45])[H:46])([H:43])[H:44]):[C:24]([H:42]):[C:23]([H:41]):[C:21]([O:22][H:40]):[C:20]:1[H:39]>>[C:1](=[C:2]([C:3](=[C:4]([C:5]([C:19]1:[C:18]([C:17]([C@:16]([N:15]([H:47])[H:48])([C:25](=[O:26])[O:27][H:45])[H:46])([H:43])[H:44]):[C:24]([H:42]):[C:23]([H:41]):[C:21]([O:22][H:40]):[C:20]:1[H:39])([H:31])[H:32])[H:33])[H:34])[H:35])([H:36])[H:37].[H][O:6][P:7](=[O:8])([O:9][H:28])[O:10][P:11](=[O:12])([O:13][H:29])[O:14][H:30]