SMIRKS
[H]OP(=O)(O[H])O[P:19]([O:18][C:17]([C@:16]1([H:41])[C@:14]([O:15][H:34])([H:35])[C:13]([H:32])([H:33])[C@@:12]([N:11]2:[C:6]3:[N:5]:[C:4]([H:29]):[N:3]:[C:2]([N:1]([H:42])[H:43]):[C:7]:3:[N:8]([H:30]):[C:9]:2=[O:10])([H:31])[O:27]1)([H:39])[H:40])(=[O:20])[O:21][H:36].[H][O:28][H:44]>>[N:1]([C:2]1:[N:3]:[C:4]([H:29]):[N:5]:[C:6]2:[C:7]:1:[N:8]([H:30]):[C:9](=[O:10]):[N:11]:2[C@@:12]1([H:31])[C:13]([H:32])([H:33])[C@@:14]([O:15][H:34])([H:35])[C@:16]([C:17]([O:18][P:19](=[O:20])([O:21][H:36])[O:28][H:44])([H:39])[H:40])([H:41])[O:27]1)([H:42])[H:43]
Derived Operators
EVODEX.1-F175 - Elemental Balance
| P | -1 |
| O | -4 |
| H | -3 |
EVODEX.1-M10 - Mass Difference
-97.97689
EVODEX.1-E853 - Reaction Operator E
[#8:33]-[#15:34](=[#8:35])(-[#8:36])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H].[#8:42](-[H:66])-[H]>>[#8:33]-[#15:34](=[#8:35])(-[#8:36])-[#8:42]-[H:66]
EVODEX.1-C1140 - Reaction Operator C
([H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:19].[#6@:14]).[H]-[#8:28]>>([#15:19]-[#8:28].[#6@@:14])
EVODEX.1-N1414 - Reaction Operator N
([H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:19](-[#8:18])(=[#8:20])-[#8:21].[#8:15]-[#6@@:14](-[#6@:16])(-[H:35])-[#6:13]).[H]-[#8:28]-[H:44]>>([#6:13]-[#6@@:14](-[#8:15])(-[H:35])-[#6@:16].[#8:18]-[#15:19](=[#8:20])(-[#8:21])-[#8:28]-[H:44])
EVODEX.1-Em62 - Reaction Operator Em
[#15]-[#8]-[#15:19](-[#8:18])(=[#8:20])-[#8:21].[H]-[#8:33]>>[#8:18]-[#15:19](=[#8:20])(-[#8:21])-[#8:33]
EVODEX.1-Nm74 - Reaction Operator Nm
[#15]-[#8]-[#15:19](-[#8:18])(=[#8:20])-[#8:21].[H]-[#8:33]>>[#8:18]-[#15:19](=[#8:20])(-[#8:21])-[#8:33]
Source Full Reactions
EVODEX.1-R6646
[N:1]([C:2]1:[N:3]:[C:4]([H:29]):[N:5]:[C:6]2:[C:7]:1:[N:8]([H:30]):[C:9](=[O:10]):[N:11]:2[C@@:12]1([H:31])[C:13]([H:32])([H:33])[C@@:14]([O:15][H:34])([H:35])[C@:16]([C:17]([O:18][P:19](=[O:20])([O:21][H:36])[O:22][P:23](=[O:24])([O:25][H:37])[O:26][H:38])([H:39])[H:40])([H:41])[O:27]1)([H:42])[H:43].[H][O:28][H:44]>>[N:1]([C:2]1:[N:3]:[C:4]([H:29]):[N:5]:[C:6]2:[C:7]:1:[N:8]([H:30]):[C:9](=[O:10]):[N:11]:2[C@@:12]1([H:31])[C:13]([H:32])([H:33])[C@@:14]([O:15][H:34])([H:35])[C@:16]([C:17]([O:18][P:19](=[O:20])([O:21][H:36])[O:28][H:44])([H:39])[H:40])([H:41])[O:27]1)([H:42])[H:43].[H][O:22][P:23](=[O:24])([O:25][H:37])[O:26][H:38]