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:10]([C:9]([C:8]([C:7]([C:6]([C@:5]([N:4]([C:2]([C:1]([H:55])([H:56])[H:57])=[O:3])[H:54])([C:26](=[O:27])[O:28][H:52])[H:53])([H:50])[H:51])([H:48])[H:49])([H:46])[H:47])([H:44])[H:45])[H:43].[O:30]=[O:31]>>[H][N:10]([C:9]([C:8]([C:7]([C:6]([C@:5]([N:4]([C:2]([C:1]([H:55])([H:56])[H:57])=[O:3])[H:54])([C:26](=[O:27])[O:28][H:52])[H:53])([H:50])[H:51])([H:48])[H:49])([H:46])[H:47])([H:44])[H:45])[H:43].[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-R1030
[H][C:11]([N:10]([C:9]([C:8]([C:7]([C:6]([C@:5]([N:4]([C:2]([C:1]([H:55])([H:56])[H:57])=[O:3])[H:54])([C:26](=[O:27])[O:28][H:52])[H:53])([H:50])[H:51])([H:48])[H:49])([H:46])[H:47])([H:44])[H:45])[H:43])([C:12]1:[C:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:32])[O:19][H:33])([H:34])[H:35]):[C:20]([H:36]):[N:21]:[C:22]([C:23]([H:37])([H:38])[H:39]):[C:24]:1[O:25][H:40])[H:41].[O:30]=[O:31].[H][O:29][H]>>[H][N:10]([C:9]([C:8]([C:7]([C:6]([C@:5]([N:4]([C:2]([C:1]([H:55])([H:56])[H:57])=[O:3])[H:54])([C:26](=[O:27])[O:28][H:52])[H:53])([H:50])[H:51])([H:48])[H:49])([H:46])[H:47])([H:44])[H:45])[H:43].[C:11]([C:12]1:[C:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:32])[O:19][H:33])([H:34])[H:35]):[C:20]([H:36]):[N:21]:[C:22]([C:23]([H:37])([H:38])[H:39]):[C:24]:1[O:25][H:40])(=[O:29])[H:41].[H][O:30][O:31][H]