SMIRKS
[H]N([H])[C@@:5]([H])([C:4]([C:3]([C:2]([N:1]([H:32])[H:33])([H:30])[H:31])([H:28])[H:29])([H:26])[H:27])[C:7](=[O:8])[O:9][H:24].[H]OC(=O)C(C([H])([H])C1:C([H]):C([H]):C([H]):C([H]):C:1[H])=[O:14]>>[N:1]([C:2]([C:3]([C:4]([C:5]([C:7](=[O:8])[O:9][H:24])=[O:14])([H:26])[H:27])([H:28])[H:29])([H:30])[H:31])([H:32])[H:33]
Derived Operators
EVODEX.1-F195 - Elemental Balance
| O | -2 |
| C | -9 |
| N | -1 |
| H | -11 |
EVODEX.1-M176 - Mass Difference
-165.07903
EVODEX.1-E895 - Reaction Operator E
[#6:2]-[#6:6](-[#7](-[H])-[H])(-[#6:8]=[#8:9])-[H].[#8]=[#6](-[#8]-[H])-[#6](=[#8:15])-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H]>>[#6:2]-[#6:6](-[#6:8]=[#8:9])=[#8:15]
EVODEX.1-C874 - Reaction Operator C
[H]-[#7](-[H])-[#6@@:7]-[H].[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])=[#8:16]>>[#6:7]=[#8:16]
EVODEX.1-N1101 - Reaction Operator N
[H]-[#7](-[H])-[#6@@:7](-[H])(-[#6:6])-[#6:9].[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])=[#8:16]>>[#6:6]-[#6:7](-[#6:9])=[#8:16]
EVODEX.1-Em14 - Reaction Operator Em
[#6](=[#8])-[#6](-[#6])=[#8:6].[H]-[#7](-[H])-[#6:11](-[H])(-[#6:12])-[#6:21]=[#8:22]>>[#8:6]=[#6:11](-[#6:12])-[#6:21]=[#8:22]
EVODEX.1-Nm12 - Reaction Operator Nm
[H]-[#7](-[H])-[#6:39](-[H])(-[#6:5])-[#6:37].[#6]-[#6](-[#6])=[#8:47]>>[#6:5]-[#6:39](-[#6:37])=[#8:47]
Source Full Reactions
EVODEX.1-R3776
[H][C@@:5]([C:4]([C:3]([C:2]([N:1]([H:32])[H:33])([H:30])[H:31])([H:28])[H:29])([H:26])[H:27])([N:6]([H:22])[H:23])[C:7](=[O:8])[O:9][H:24].[O:10]=[C:11]([O:12][H:34])[C:13](=[O:14])[C:15]([C:16]1:[C:17]([H:35]):[C:18]([H:36]):[C:19]([H:37]):[C:20]([H:38]):[C:21]:1[H:39])([H:40])[H:41]>>[N:1]([C:2]([C:3]([C:4]([C:5]([C:7](=[O:8])[O:9][H:24])=[O:14])([H:26])[H:27])([H:28])[H:29])([H:30])[H:31])([H:32])[H:33].[H][C@@:13]([N:6]([H:22])[H:23])([C:11](=[O:10])[O:12][H:34])[C:15]([C:16]1:[C:17]([H:35]):[C:18]([H:36]):[C:19]([H:37]):[C:20]([H:38]):[C:21]:1[H:39])([H:40])[H:41]