SMIRKS
[H]OP(=O)(O[H])O[C@@:10]1([H:33])[C@@:8]([O:9][H:29])([H:30])[C@:6]([O:7][H:27])([H:28])[C@@:5]([N:4]([C:2](=[N:1][H:42])[N:3]([H:24])[H:25])[H:41])([H:26])[C@:21]([O:22][H:39])([H:40])[C@@:16]1([N:17]([C:18](=[N:19][H:34])[N:20]([H:35])[H:36])[H:37])[H:38].[H][O:23][H:43]>>[N:1](=[C:2]([N:3]([H:24])[H:25])[N:4]([C@@:5]1([H:26])[C@@:6]([O:7][H:27])([H:28])[C@:8]([O:9][H:29])([H:30])[C@@:10]([O:23][H:43])([H:33])[C@:16]([N:17]([C:18](=[N:19][H:34])[N:20]([H:35])[H:36])[H:37])([H:38])[C@@:21]1([O:22][H:39])[H:40])[H:41])[H:42]
Derived Operators
EVODEX.1-F175 - Elemental Balance
| P | -1 |
| O | -4 |
| H | -3 |
EVODEX.1-M10 - Mass Difference
-97.97689
EVODEX.1-E852 - Reaction Operator E
[#6:9](-[#6@@:7])(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])(-[H:30])-[#6:15].[#8:16](-[H:36])-[H]>>[#8:16](-[#6@:9](-[#6@@:7])(-[H:30])-[#6:15])-[H:36]
EVODEX.1-C1373 - Reaction Operator C
[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6@@:10](-[#6@@:8]-[#6@:6])-[#6@@:16]-[#6@:21].[H]-[#8:23]>>[#8:23]-[#6@:10](-[#6@:8]-[#6@@:6])-[#6@:16]-[#6@@:21]
EVODEX.1-N1743 - Reaction Operator N
[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6@@:10]1(-[H:33])-[#6@@:8](-[#8:9])(-[H:30])-[#6@:6](-[#8:7])(-[H:28])-[#6@@:5]-[#6@:21](-[#8:22])(-[H:40])-[#6@@:16]-1(-[#7:17])-[H:38].[H]-[#8:23]-[H:43]>>[#8:7]-[#6@:6]1(-[#6@@:5]-[#6@:21](-[#6@@:16](-[#6@:10](-[#6@@:8]-1(-[#8:9])-[H:30])(-[#8:23]-[H:43])-[H:33])(-[#7:17])-[H:38])(-[#8:22])-[H:40])-[H:28]
EVODEX.1-Em622 - Reaction Operator Em
[#15]-[#8]-[#6:14](-[#6:5])-[#6:12].[H]-[#8:20]>>[#6:5]-[#6:14](-[#6:12])-[#8:20]
EVODEX.1-Nm557 - Reaction Operator Nm
[#15]-[#8]-[#6:14](-[#6:5])-[#6:12].[H]-[#8:20]>>[#6:5]-[#6:14](-[#6:12])-[#8:20]
Source Full Reactions
EVODEX.1-R5055
[N:1](=[C:2]([N:3]([H:24])[H:25])[N:4]([C@@:5]1([H:26])[C@@:6]([O:7][H:27])([H:28])[C@:8]([O:9][H:29])([H:30])[C@@:10]([O:11][P:12](=[O:13])([O:14][H:31])[O:15][H:32])([H:33])[C@:16]([N:17]([C:18](=[N:19][H:34])[N:20]([H:35])[H:36])[H:37])([H:38])[C@@:21]1([O:22][H:39])[H:40])[H:41])[H:42].[H][O:23][H:43]>>[N:1](=[C:2]([N:3]([H:24])[H:25])[N:4]([C@@:5]1([H:26])[C@@:6]([O:7][H:27])([H:28])[C@:8]([O:9][H:29])([H:30])[C@@:10]([O:23][H:43])([H:33])[C@:16]([N:17]([C:18](=[N:19][H:34])[N:20]([H:35])[H:36])[H:37])([H:38])[C@@:21]1([O:22][H:39])[H:40])[H:41])[H:42].[H][O:11][P:12](=[O:13])([O:14][H:31])[O:15][H:32]