SMIRKS
[H]OC1:C(C([H])([H])[H]):N:C([H]):C(C([H])([H])OP(=O)(O[H])O[H]):C:1C([H])([H])[N:14]([C@@:15]([C:16]([C:17]1:[C:18]([H:37]):[C:19]([H:38]):[C:20]([O:21][H:39]):[C:22]([H:40]):[C:23]:1[H:41])([H:42])[H:43])([C:24](=[O:25])[O:26][H:44])[H:45])[H:46].[O:30]=[O:31]>>[H][N:14]([C@@:15]([C:16]([C:17]1:[C:18]([H:37]):[C:19]([H:38]):[C:20]([O:21][H:39]):[C:22]([H:40]):[C:23]:1[H:41])([H:42])[H:43])([C:24](=[O:25])[O:26][H:44])[H:45])[H:46].[H][O:30][O:31][H]
Derived Operators
EVODEX.1-F260 - Elemental Balance
| P | -1 |
| O | -5 |
| C | -8 |
| N | -1 |
| H | -8 |
EVODEX.1-M310 - Mass Difference
-229.01403999999997
EVODEX.1-E988 - Reaction Operator E
[#6](-[#6]1:[#7]:[#6](-[H]):[#6](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])(-[H])-[H]):[#6](-[#6](-[#7:14](-[#6:15])-[H:36])(-[H])-[H]):[#6]:1-[#8]-[H])(-[H])(-[H])-[H].[#8:24]=[#8:25]>>[#7:14](-[#6:15])(-[H:36])-[H].[#8:24](-[#8:25]-[H])-[H]
EVODEX.1-C245 - Reaction Operator C
[H]-[#8]-[#6]1:[#6](-[#6](-[H])(-[H])-[H]):[#7]:[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H]):[#6]:1-[#6](-[H])(-[H])-[#7:10].[#8:30]=[#8:31]>>[H]-[#7:10].[H]-[#8:30]-[#8:31]-[H]
EVODEX.1-N253 - Reaction Operator N
[H]-[#8]-[#6]1:[#6](-[#6](-[H])(-[H])-[H]):[#7]:[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H]):[#6]:1-[#6](-[H])(-[H])-[#7:10](-[#6:9])-[H:43].[#8:30]=[#8:31]>>[H]-[#7:10](-[#6:9])-[H:43].[H]-[#8:30]-[#8:31]-[H]
EVODEX.1-Em375 - Reaction Operator Em
[#6]-[#6](-[H])(-[H])-[#7:10]-[#6:9].[#8:30]=[#8:31]>>[H]-[#7:10]-[#6:9].[H]-[#8:30]-[#8:31]-[H]
EVODEX.1-Cm132 - Reaction Operator Cm
[#6]-[#7:6].[#8:12]=[#8:13]>>[H]-[#7:6].[H]-[#8:12]-[#8:13]-[H]
EVODEX.1-Nm335 - Reaction Operator Nm
[#6]-[#6](-[H])(-[H])-[#7:10]-[#6:9].[#8:30]=[#8:31]>>[H]-[#7:10]-[#6:9].[H]-[#8:30]-[#8:31]-[H]
Source Full Reactions
EVODEX.1-R1023
[H][C:13]([C:12]1:[C:5]([C:6]([O:7][P:8](=[O:9])([O:10][H:33])[O:11][H:34])([H:35])[H:36]):[C:4]([H:32]):[N:3]:[C:2]([C:1]([H:50])([H:51])[H:52]):[C:27]:1[O:28][H:49])([N:14]([C@@:15]([C:16]([C:17]1:[C:18]([H:37]):[C:19]([H:38]):[C:20]([O:21][H:39]):[C:22]([H:40]):[C:23]:1[H:41])([H:42])[H:43])([C:24](=[O:25])[O:26][H:44])[H:45])[H:46])[H:47].[O:30]=[O:31].[H][O:29][H]>>[C:1]([C:2]1:[N:3]:[C:4]([H:32]):[C:5]([C:6]([O:7][P:8](=[O:9])([O:10][H:33])[O:11][H:34])([H:35])[H:36]):[C:12]([C:13](=[O:29])[H:47]):[C:27]:1[O:28][H:49])([H:50])([H:51])[H:52].[H][N:14]([C@@:15]([C:16]([C:17]1:[C:18]([H:37]):[C:19]([H:38]):[C:20]([O:21][H:39]):[C:22]([H:40]):[C:23]:1[H:41])([H:42])[H:43])([C:24](=[O:25])[O:26][H:44])[H:45])[H:46].[H][O:30][O:31][H]