SMIRKS
[N:1]([C:2](=[O:3])[O:4][P:5](=[O:6])([O:7][H:28])[O:8][H:29])([H:30])[H:31]>>[H][O:4][C:2]([N:1]([H:30])[H:31])=[O:3].[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(=O):N([H]):C([H]):N:C:3:2)O[C@]1([H])C([H])([H])O[P:5](=[O:6])([O:7][H:28])[O:8][H:29]
Derived Operators
EVODEX.1-F444 - Elemental Balance
| O | 5 |
| C | 10 |
| N | 4 |
| H | 12 |
EVODEX.1-M427 - Mass Difference
268.08086
EVODEX.1-E1253 - Reaction Operator E
[#8:1]=[#15:2](-[#8:3])(-[#8:4])-[#8:5]-[#6:6]>>[#8:1]=[#15:2](-[#8:3])(-[#8:4])-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6@](-[#7]2:[#6]3:[#7]:[#6](-[H]):[#7](-[H]):[#6](=[#8]):[#6]:3:[#7]:[#6]:2-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H])(-[H])-[H].[#8:5](-[#6:6])-[H]
EVODEX.1-C1094 - Reaction Operator C
[#8:4]-[#15:5]>>[H]-[#8:4].[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](=[#8]):[#7](-[H]):[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15:5]
EVODEX.1-N1342 - Reaction Operator N
[#6:2]-[#8:4]-[#15:5](=[#8:6])(-[#8:7])-[#8:8]>>[H]-[#8:4]-[#6:2].[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](=[#8]):[#7](-[H]):[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15:5](=[#8:6])(-[#8:7])-[#8:8]
EVODEX.1-Em64 - Reaction Operator Em
[#6:2]-[#8:4]-[#15:5](=[#8:6])(-[#8:7])-[#8:8]>>[H]-[#8:4]-[#6:2].[#6]-[#8]-[#15:5](=[#8:6])(-[#8:7])-[#8:8]
EVODEX.1-Nm77 - Reaction Operator Nm
[#6:2]-[#8:4]-[#15:5](=[#8:6])(-[#8:7])-[#8:8]>>[H]-[#8:4]-[#6:2].[#6]-[#8]-[#15:5](=[#8:6])(-[#8:7])-[#8:8]
Source Full Reactions
EVODEX.1-R4149
[N:1]([C:2](=[O:3])[O:4][P:5](=[O:6])([O:7][H:28])[O:8][H:29])([H:30])[H:31].[H][O:23][C:22]([C@@:21]1([H:39])[O:20][C@:19]([N:18]2:[C:14]3:[N:13]:[C:12]([H:33]):[N:11]([H:32]):[C:10](=[O:9]):[C:15]:3:[N:16]:[C:17]:2[H:34])([H:35])[C@@:26]([O:27][H:42])([H:43])[C@@:24]1([O:25][H:40])[H:41])([H:37])[H:38]>>[H][O:4][C:2]([N:1]([H:30])[H:31])=[O:3].[P:5](=[O:6])([O:7][H:28])([O:8][H:29])[O:23][C:22]([C@@:21]1([H:39])[O:20][C@:19]([N:18]2:[C:14]3:[N:13]:[C:12]([H:33]):[N:11]([H:32]):[C:10](=[O:9]):[C:15]:3:[N:16]:[C:17]:2[H:34])([H:35])[C@@:26]([O:27][H:42])([H:43])[C@@:24]1([O:25][H:40])[H:41])([H:37])[H:38]