SMIRKS
[H]OC(=O)[C@@]([H])(N([H])[C:8]([C:7]([C:6]([C:5]([C:3](=[O:2])[O:4][H:22])([H:37])[H:38])([H:35])[H:36])([H:33])[H:34])=[O:9])C([H])([H])C1:C([H]):C([H]):C([H]):C([H]):C:1[H]>>[H]O[C:8]([C:7]([C:6]([C:5]([C:3](=[O:2])[O:4][H:22])([H:37])[H:38])([H:35])[H:36])([H:33])[H:34])=[O:9]
Derived Operators
EVODEX.1-F197 - Elemental Balance
| O | -1 |
| C | -9 |
| N | -1 |
| H | -9 |
EVODEX.1-M177 - Mass Difference
-147.06847
EVODEX.1-E898 - Reaction Operator E
[#6:7]-[#6:8](=[#8:9])-[#7](-[#6@@](-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H]>>[#8](-[#6:8](-[#6:7])=[#8:9])-[H]
EVODEX.1-C615 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:8])-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H]>>[H]-[#8]-[#6:8]
EVODEX.1-N770 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:8](-[#6:7])=[#8:9])-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H]>>[H]-[#8]-[#6:8](-[#6:7])=[#8:9]
EVODEX.1-Em3 - Reaction Operator Em
[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]>>[H]-[#8]-[#6:42](-[#6:40])=[#8:43]
EVODEX.1-Nm3 - Reaction Operator Nm
[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]>>[H]-[#8]-[#6:42](-[#6:40])=[#8:43]
Source Full Reactions
EVODEX.1-R6514
[O:2]=[C:3]([O:4][H:22])[C:5]([C:6]([C:7]([C:8](=[O:9])[N:10]([C@@:11]([C:12]([C:13]1:[C:14]([H:23]):[C:15]([H:24]):[C:16]([H:25]):[C:17]([H:26]):[C:18]:1[H:27])([H:28])[H:29])([C:19](=[O:20])[O:21][H:30])[H:31])[H:32])([H:33])[H:34])([H:35])[H:36])([H:37])[H:38].[H][O:1][H:39]>>[H][N:10]([C@@:11]([C:12]([C:13]1:[C:14]([H:23]):[C:15]([H:24]):[C:16]([H:25]):[C:17]([H:26]):[C:18]:1[H:27])([H:28])[H:29])([C:19](=[O:20])[O:21][H:30])[H:31])[H:32].[O:1]([C:8]([C:7]([C:6]([C:5]([C:3](=[O:2])[O:4][H:22])([H:37])[H:38])([H:35])[H:36])([H:33])[H:34])=[O:9])[H:39]