SMIRKS
[O:1]=[P:2]([O:3][H:40])([O:4][H:41])[O:5][C:6]([C:7]([O:8][H:42])([H:43])[H:44])([C:9]([O:10][H:45])([H:46])[H:47])[H:48]>>[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):C([H]):C(=O):N([H]):C:2=O)O[C@]1([H])C([H])([H])O[P:2](=[O:1])([O:3][H:40])[O:4][H:41].[H][O:5][C:6]([C:7]([O:8][H:42])([H:43])[H:44])([C:9]([O:10][H:45])([H:46])[H:47])[H:48]
Derived Operators
EVODEX.1-F69 - Elemental Balance
| C | 9 |
| O | 6 |
| N | 2 |
| H | 12 |
EVODEX.1-M216 - Mass Difference
244.06956
EVODEX.1-E616 - 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](-[H]):[#6](-[H]):[#6](=[#8]):[#7](-[H]):[#6]:2=[#8])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H])(-[H])-[H].[#8:5](-[#6:6])-[H]
EVODEX.1-C992 - Reaction Operator C
[#15:2]-[#8:5]>>[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](=[#8]):[#7](-[H]):[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15:2].[H]-[#8:5]
EVODEX.1-N1228 - Reaction Operator N
[#8:1]=[#15:2](-[#8:3])(-[#8:4])-[#8:5]-[#6:6]>>[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](=[#8]):[#7](-[H]):[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15:2](=[#8:1])(-[#8:3])-[#8:4].[H]-[#8:5]-[#6:6]
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-R4148
[H][O:20][C:19]([C@@:18]1([H:34])[O:17][C@:16]([N:15]2:[C:14]([H:29]):[C:13]([H:28]):[C:12](=[O:11]):[N:27]([H:39]):[C:25]:2=[O:26])([H:30])[C@@:23]([O:24][H:37])([H:38])[C@@:21]1([O:22][H:35])[H:36])([H:32])[H:33].[O:1]=[P:2]([O:3][H:40])([O:4][H:41])[O:5][C:6]([C:7]([O:8][H:42])([H:43])[H:44])([C:9]([O:10][H:45])([H:46])[H:47])[H:48]>>[O:1]=[P:2]([O:3][H:40])([O:4][H:41])[O:20][C:19]([C@@:18]1([H:34])[O:17][C@:16]([N:15]2:[C:14]([H:29]):[C:13]([H:28]):[C:12](=[O:11]):[N:27]([H:39]):[C:25]:2=[O:26])([H:30])[C@@:23]([O:24][H:37])([H:38])[C@@:21]1([O:22][H:35])[H:36])([H:32])[H:33].[H][O:5][C:6]([C:7]([O:8][H:42])([H:43])[H:44])([C:9]([O:10][H:45])([H:46])[H:47])[H:48]