SMIRKS
[H]OP(=O)(O[H])O[C@@:14]1([H:35])[C@@:5]([N:4]([C:2](=[N:1][H:37])[N:3]([H:21])[H:22])[H:36])([H:23])[C@:6]([O:7][H:24])([H:25])[C@@:8]([N:9]([H:26])[H:27])([H:28])[C@:10]([O:11][H:29])([H:30])[C@@:12]1([O:13][H:31])[H:32].[H][O:20][H:38]>>[N:1](=[C:2]([N:3]([H:21])[H:22])[N:4]([C@:5]1([H:23])[C@:6]([O:7][H:24])([H:25])[C@@:8]([N:9]([H:26])[H:27])([H:28])[C@:10]([O:11][H:29])([H:30])[C@@:12]([O:13][H:31])([H:32])[C@:14]1([O:20][H:38])[H:35])[H:36])[H:37]
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-C1374 - Reaction Operator C
[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6@@:14]-[#6@@:5].[H]-[#8:20]>>[#8:20]-[#6@:14]-[#6@:5]
EVODEX.1-N1744 - Reaction Operator N
[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6@@:14](-[H:35])(-[#6@@:5](-[#7:4])(-[H:23])-[#6@:6])-[#6@@:12].[H]-[#8:20]-[H:38]>>[#7:4]-[#6@:5](-[H:23])(-[#6@:6])-[#6@@:14](-[#6@@:12])(-[#8:20]-[H:38])-[H:35]
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-R5056
[N:1](=[C:2]([N:3]([H:21])[H:22])[N:4]([C@:5]1([H:23])[C@:6]([O:7][H:24])([H:25])[C@@:8]([N:9]([H:26])[H:27])([H:28])[C@:10]([O:11][H:29])([H:30])[C@@:12]([O:13][H:31])([H:32])[C@:14]1([O:15][P:16](=[O:17])([O:18][H:33])[O:19][H:34])[H:35])[H:36])[H:37].[H][O:20][H:38]>>[N:1](=[C:2]([N:3]([H:21])[H:22])[N:4]([C@:5]1([H:23])[C@:6]([O:7][H:24])([H:25])[C@@:8]([N:9]([H:26])[H:27])([H:28])[C@:10]([O:11][H:29])([H:30])[C@@:12]([O:13][H:31])([H:32])[C@:14]1([O:20][H:38])[H:35])[H:36])[H:37].[H][O:15][P:16](=[O:17])([O:18][H:33])[O:19][H:34]