SMIRKS
[H]OC([H])(C(=O)C([H])([H])OP(=O)(O[H])O[H])[C:5]([C:4]([N:3]([C:2](=[O:1])[O:17][C:18]1:[C:19]([H:35]):[C:20]([H:36]):[C:21]([H:37]):[C:22]([H:38]):[C:23]:1[H:39])[H:34])([H:32])[H:33])([O:6][H])[H:31]>>[O:1]=[C:2]([N:3]([C:4]([C:5](=[O:6])[H:31])([H:32])[H:33])[H:34])[O:17][C:18]1:[C:19]([H:35]):[C:20]([H:36]):[C:21]([H:37]):[C:22]([H:38]):[C:23]:1[H:39]
Derived Operators
EVODEX.1-F58 - Elemental Balance
| P | -1 |
| O | -6 |
| C | -3 |
| H | -7 |
EVODEX.1-M214 - Mass Difference
-169.99801
EVODEX.1-E592 - Reaction Operator E
[#6:3]-[#6@@:4](-[#8:5]-[H])(-[#6@@](-[#8]-[H])(-[#6](=[#8])-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])(-[H])-[H])-[H])-[H:23]>>[#6:3]-[#6:4](=[#8:5])-[H:23]
EVODEX.1-C728 - Reaction Operator C
[H]-[#8]-[#6@@](-[H])(-[#6](=[#8])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@:11]-[#8:12]-[H]>>[#6:11]=[#8:12]
EVODEX.1-N932 - Reaction Operator N
[H]-[#8]-[#6@@](-[H])(-[#6](=[#8])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@:11](-[#8:12]-[H])(-[#6:13])-[H:37]>>[#6:11](=[#8:12])(-[#6:13])-[H:37]
EVODEX.1-Em87 - Reaction Operator Em
[#6]-[#6](-[H])(-[#8])-[#6:5](-[#6:4])-[#8:6]-[H]>>[#6:4]-[#6:5]=[#8:6]
EVODEX.1-Nm123 - Reaction Operator Nm
[#6]-[#6](-[H])(-[#8])-[#6:5](-[#6:4])-[#8:6]-[H]>>[#6:4]-[#6:5]=[#8:6]
Source Full Reactions
EVODEX.1-R6865
[H][O:6][C:5]([C:4]([N:3]([C:2](=[O:1])[O:17][C:18]1:[C:19]([H:35]):[C:20]([H:36]):[C:21]([H:37]):[C:22]([H:38]):[C:23]:1[H:39])[H:34])([H:32])[H:33])([C:7]([O:8][H:25])([C:9](=[O:10])[C:11]([O:12][P:13](=[O:14])([O:15][H:26])[O:16][H:27])([H:28])[H:29])[H:30])[H:31]>>[H][C:7]([O:8][H:25])([C:9](=[O:10])[C:11]([O:12][P:13](=[O:14])([O:15][H:26])[O:16][H:27])([H:28])[H:29])[H:30].[O:1]=[C:2]([N:3]([C:4]([C:5](=[O:6])[H:31])([H:32])[H:33])[H:34])[O:17][C:18]1:[C:19]([H:35]):[C:20]([H:36]):[C:21]([H:37]):[C:22]([H:38]):[C:23]:1[H:39]