SMIRKS
[H]OC(=O)[C@@]([H])(N([H])[C:7](=[O:8])[C:9]1:[C:10]([H:22]):[C:11]([H:23]):[C:12]([H:24]):[C:13]([H:25]):[C:14]:1[H:26])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H]>>[H]O[C:7](=[O:8])[C:9]1:[C:10]([H:22]):[C:11]([H:23]):[C:12]([H:24]):[C:13]([H:25]):[C:14]:1[H:26]
Derived Operators
EVODEX.1-F246 - Elemental Balance
| C | -6 |
| N | -1 |
| O | -1 |
| H | -11 |
EVODEX.1-M572 - Mass Difference
-113.08413
EVODEX.1-E970 - Reaction Operator E
[#6](-[#6](-[#6@@](-[#6](-[H])(-[H])-[H])(-[#6@](-[#7](-[#6:7](-[#6:8])=[#8:9])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H])(-[H])-[H])(-[H])(-[H])-[H]>>[#6:7](-[#6:8])(=[#8:9])-[#8]-[H]
EVODEX.1-C555 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:7])-[#6@@](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:7]
EVODEX.1-N708 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:7](=[#8:8])-[#6:9])-[#6@@](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:7](=[#8:8])-[#6:9]
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-R6252
[C:1]([C:2]([C@:3]([C:4]([H:19])([H:20])[H:21])([C@:5]([N:6]([C:7](=[O:8])[C:9]1:[C:10]([H:22]):[C:11]([H:23]):[C:12]([H:24]):[C:13]([H:25]):[C:14]:1[H:26])[H:27])([C:15](=[O:16])[O:17][H:28])[H:29])[H:30])([H:31])[H:32])([H:33])([H:34])[H:35].[H][O:18][H:36]>>[C:7](=[O:8])([C:9]1:[C:10]([H:22]):[C:11]([H:23]):[C:12]([H:24]):[C:13]([H:25]):[C:14]:1[H:26])[O:18][H:36].[H][N:6]([C@@:5]([C@:3]([C:2]([C:1]([H:33])([H:34])[H:35])([H:31])[H:32])([C:4]([H:19])([H:20])[H:21])[H:30])([C:15](=[O:16])[O:17][H:28])[H:29])[H:27]