SMIRKS
[O:1]=[P:2]([O:3][H:41])([O:4][H:42])[O:5][C:6]1:[C:7]([H:43]):[C:8]([H:44]):[C:9]([H:45]):[C:10]([H:46]):[C:11]:1[H:47]>>[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:41])[O:4][H:42].[H][O:5][C:6]1:[C:7]([H:43]):[C:8]([H:44]):[C:9]([H:45]):[C:10]([H:46]):[C:11]:1[H:47]
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-R4147
[H][O:21][C:20]([C@@:19]1([H:35])[O:18][C@:17]([N:16]2:[C:15]([H:30]):[C:14]([H:29]):[C:13](=[O:12]):[N:28]([H:40]):[C:26]:2=[O:27])([H:31])[C@@:24]([O:25][H:38])([H:39])[C@@:22]1([O:23][H:36])[H:37])([H:33])[H:34].[O:1]=[P:2]([O:3][H:41])([O:4][H:42])[O:5][C:6]1:[C:7]([H:43]):[C:8]([H:44]):[C:9]([H:45]):[C:10]([H:46]):[C:11]:1[H:47]>>[O:1]=[P:2]([O:3][H:41])([O:4][H:42])[O:21][C:20]([C@@:19]1([H:35])[O:18][C@:17]([N:16]2:[C:15]([H:30]):[C:14]([H:29]):[C:13](=[O:12]):[N:28]([H:40]):[C:26]:2=[O:27])([H:31])[C@@:24]([O:25][H:38])([H:39])[C@@:22]1([O:23][H:36])[H:37])([H:33])[H:34].[H][O:5][C:6]1:[C:7]([H:43]):[C:8]([H:44]):[C:9]([H:45]):[C:10]([H:46]):[C:11]:1[H:47]