SMIRKS
[H][C@:2]([N:1]([H:28])[H:29])([C:3]([C:4]([O:5][H:21])([H:22])[H:23])([H:24])[H:25])[C:6](=[O:7])[O:8][H:26]>>O=[C:2]([C:3]([C:4]([O:5][H:21])([H:22])[H:23])([H:24])[H:25])[C:6](=[O:7])[O:8][H:26].[H]OC(=O)[C@]([H])(C([H])([H])C1:C([H]):C([H]):C([H]):C([H]):C:1[H])[N:1]([H:28])[H:29]
Derived Operators
EVODEX.1-F107 - Elemental Balance
| O | 3 |
| C | 9 |
| H | 8 |
EVODEX.1-M237 - Mass Difference
164.04734
EVODEX.1-E692 - Reaction Operator E
[#6:2]-[#6:6](-[#7:7](-[H:24])-[H:25])(-[#6:8]=[#8:9])-[H]>>[#6:2]-[#6:6](-[#6:8]=[#8:9])=[#8].[#7:7](-[#6@](-[#6](=[#8])-[#8]-[H])(-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H])-[H])(-[H:24])-[H:25]
EVODEX.1-C427 - Reaction Operator C
[H]-[#6:5]-[#7:6]>>[#8]=[#6:5].[H]-[#8]-[#6](=[#8])-[#6@](-[H])(-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])-[#7:6]
EVODEX.1-N509 - Reaction Operator N
[H]-[#6:5](-[#6:2])(-[#7:6](-[H:26])-[H:27])-[#6:7]>>[#8]=[#6:5](-[#6:2])-[#6:7].[H]-[#8]-[#6](=[#8])-[#6@](-[H])(-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])-[#7:6](-[H:26])-[H:27]
EVODEX.1-Em17 - Reaction Operator Em
[H]-[#6:2](-[#7:1])(-[#6:3])-[#6:14]=[#8:15]>>[#8]=[#6:2](-[#6:3])-[#6:14]=[#8:15].[#6]-[#6](-[H])(-[#6])-[#7:1]
EVODEX.1-Nm13 - Reaction Operator Nm
[H]-[#6:39](-[#7:40])(-[#6:5])-[#6:37]>>[#8]=[#6:39](-[#6:5])-[#6:37].[#6]-[#6](-[H])(-[#6])-[#7:40]
Source Full Reactions
EVODEX.1-R3550
[H][C@:2]([N:1]([H:28])[H:29])([C:3]([C:4]([O:5][H:21])([H:22])[H:23])([H:24])[H:25])[C:6](=[O:7])[O:8][H:26].[O:9]=[C:10]([O:11][H:30])[C:12](=[O:13])[C:14]([C:15]1:[C:16]([H:31]):[C:17]([H:32]):[C:18]([H:33]):[C:19]([H:34]):[C:20]:1[H:35])([H:36])[H:37]>>[C:2]([C:3]([C:4]([O:5][H:21])([H:22])[H:23])([H:24])[H:25])([C:6](=[O:7])[O:8][H:26])=[O:13].[H][C@@:12]([N:1]([H:28])[H:29])([C:10](=[O:9])[O:11][H:30])[C:14]([C:15]1:[C:16]([H:31]):[C:17]([H:32]):[C:18]([H:33]):[C:19]([H:34]):[C:20]:1[H:35])([H:36])[H:37]