SMIRKS
[H][O:15][C:14]([C@@:13]1([H:35])[O:12][C@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:29]):[N:3]:[C:2]([N:1]([H:40])[H:41]):[C:7]:3:[N:8]:[C:9]:2[H:30])([H:31])[C@@:18]([O:19][H:38])([H:39])[C@@:16]1([O:17][H:36])[H:37])([H:33])[H:34].[H]OP(=O)(O[H])O[P:21](=[O:20])([O:22][H:42])[O:23][H:43]>>[N:1]([C:2]1:[N:3]:[C:4]([H:29]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:30]):[N:10]:2[C@:11]1([H:31])[O:12][C@@:13]([C:14]([O:15][P:21](=[O:20])([O:22][H:42])[O:23][H:43])([H:33])[H:34])([H:35])[C@:16]([O:17][H:36])([H:37])[C@:18]1([O:19][H:38])[H:39])([H:40])[H:41]
Derived Operators
EVODEX.1-F175 - Elemental Balance
| P | -1 |
| O | -4 |
| H | -3 |
EVODEX.1-M10 - Mass Difference
-97.97689
EVODEX.1-E857 - Reaction Operator E
[#8]=[#15](-[#8]-[H])(-[#8]-[H])-[#8]-[#15:6](=[#8:7])(-[#8:8])-[#8:9].[#8:19](-[#6:20])-[H]>>[#15:6](=[#8:7])(-[#8:8])(-[#8:9])-[#8:19]-[#6:20]
EVODEX.1-C1074 - Reaction Operator C
([H]-[#8:14].[#6@@:17]-[#6@@:15]).[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:22]>>([#8:14]-[#15:22].[#6@:15]-[#6@:17])
EVODEX.1-N1324 - Reaction Operator N
[H]-[#8:14]-[#6:13]-[#6@@:12]-[#6@:15](-[#6@:17](-[#6@:10])(-[#8:18])-[H:40])(-[#8:16])-[H:38].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:22](=[#8:21])(-[#8:23])-[#8:24]>>[#6:13](-[#6@@:12]-[#6@:15](-[#8:16])(-[H:38])-[#6@:17](-[#6@:10])(-[#8:18])-[H:40])-[#8:14]-[#15:22](=[#8:21])(-[#8:23])-[#8:24]
EVODEX.1-Em5 - Reaction Operator Em
[#15]-[#8]-[#15:16](-[#8:15])(=[#8:17])-[#8:18].[H]-[#8:34]-[#6:33]>>[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:34]-[#6:33]
EVODEX.1-Nm6 - Reaction Operator Nm
[#15]-[#8]-[#15:16](-[#8:15])(=[#8:17])-[#8:18].[H]-[#8:34]-[#6:33]>>[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:34]-[#6:33]
Source Full Reactions
EVODEX.1-R3913
[H][O:15][C:14]([C@@:13]1([H:35])[O:12][C@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:29]):[N:3]:[C:2]([N:1]([H:40])[H:41]):[C:7]:3:[N:8]:[C:9]:2[H:30])([H:31])[C@@:18]([O:19][H:38])([H:39])[C@@:16]1([O:17][H:36])[H:37])([H:33])[H:34].[O:20]=[P:21]([O:22][H:42])([O:23][H:43])[O:24][P:25](=[O:26])([O:27][H:44])[O:28][H:45]>>[N:1]([C:2]1:[N:3]:[C:4]([H:29]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:30]):[N:10]:2[C@:11]1([H:31])[O:12][C@@:13]([C:14]([O:15][P:21](=[O:20])([O:22][H:42])[O:23][H:43])([H:33])[H:34])([H:35])[C@:16]([O:17][H:36])([H:37])[C@:18]1([O:19][H:38])[H:39])([H:40])[H:41].[H][O:24][P:25](=[O:26])([O:27][H:44])[O:28][H:45]