SMIRKS
[H]N([H])[C@@:4]([H])([C:3]([C:2]([C:1]([H:29])([H:30])[H:31])([H:27])[H:28])([H:25])[H:26])[C:6](=[O:7])[O:8][H:23].[H]OC(=O)C(C([H])([H])C1:C([H]):C([H]):C([H]):C([H]):C:1[H])=[O:13]>>[C:1]([C:2]([C:3]([C:4]([C:6](=[O:7])[O:8][H:23])=[O:13])([H:25])[H:26])([H:27])[H:28])([H:29])([H:30])[H:31]
Derived Operators
EVODEX.1-F201 - Elemental Balance
| C | -9 |
| N | -1 |
| O | -2 |
| H | -11 |
EVODEX.1-M570 - 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-R3634
[H][C@@:4]([C:3]([C:2]([C:1]([H:29])([H:30])[H:31])([H:27])[H:28])([H:25])[H:26])([N:5]([H:21])[H:22])[C:6](=[O:7])[O:8][H:23].[O:9]=[C:10]([O:11][H:32])[C:12](=[O:13])[C:14]([C:15]1:[C:16]([H:33]):[C:17]([H:34]):[C:18]([H:35]):[C:19]([H:36]):[C:20]:1[H:37])([H:38])[H:39]>>[C:1]([C:2]([C:3]([C:4]([C:6](=[O:7])[O:8][H:23])=[O:13])([H:25])[H:26])([H:27])[H:28])([H:29])([H:30])[H:31].[H][C@@:12]([N:5]([H:21])[H:22])([C:10](=[O:9])[O:11][H:32])[C:14]([C:15]1:[C:16]([H:33]):[C:17]([H:34]):[C:18]([H:35]):[C:19]([H:36]):[C:20]:1[H:37])([H:38])[H:39]