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:36]):[C:19]([H:37]):[C:20]([H:38]):[C:21]([H:39]):[C:22]:1[H:40])([H:41])[H:42])([C:23](=[O:24])[O:25][H:43])[H:44])[H:45]>>[H][N:14]([C@@:15]([C:16]([C:17]1:[C:18]([H:36]):[C:19]([H:37]):[C:20]([H:38]):[C:21]([H:39]):[C:22]:1[H:40])([H:41])[H:42])([C:23](=[O:24])[O:25][H:43])[H:44])[H:45]
Derived Operators
EVODEX.1-F259 - Elemental Balance
| P | -1 |
| C | -8 |
| O | -5 |
| N | -1 |
| H | -10 |
EVODEX.1-M309 - Mass Difference
-231.0297
EVODEX.1-E987 - 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]>>[#7:14](-[#6:15])(-[H:36])-[H]
EVODEX.1-C244 - 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])-[#7:14]>>[H]-[#7:14]
EVODEX.1-N252 - 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])-[#7:14](-[#6:15])-[H:36]>>[H]-[#7:14](-[#6:15])-[H:36]
Source Full Reactions
EVODEX.1-R1022
[H][C:13]([C:12]1:[C:5]([C:6]([O:7][P:8](=[O:9])([O:10][H:32])[O:11][H:33])([H:34])[H:35]):[C:4]([H:31]):[N:3]:[C:2]([C:1]([H:49])([H:50])[H:51]):[C:26]:1[O:27][H:48])([N:14]([C@@:15]([C:16]([C:17]1:[C:18]([H:36]):[C:19]([H:37]):[C:20]([H:38]):[C:21]([H:39]):[C:22]:1[H:40])([H:41])[H:42])([C:23](=[O:24])[O:25][H:43])[H:44])[H:45])[H:46].[O:29]=[O:30].[H][O:28][H]>>[C:1]([C:2]1:[N:3]:[C:4]([H:31]):[C:5]([C:6]([O:7][P:8](=[O:9])([O:10][H:32])[O:11][H:33])([H:34])[H:35]):[C:12]([C:13](=[O:28])[H:46]):[C:26]:1[O:27][H:48])([H:49])([H:50])[H:51].[H][N:14]([C@@:15]([C:16]([C:17]1:[C:18]([H:36]):[C:19]([H:37]):[C:20]([H:38]):[C:21]([H:39]):[C:22]:1[H:40])([H:41])[H:42])([C:23](=[O:24])[O:25][H:43])[H:44])[H:45].[H][O:29][O:30][H]