SMIRKS
[H]O[C:2]([C:1]([H:18])([H:19])[H:20])=[O:3]>>[H]OC(=O)[C@]([H])(N([H])[C:2]([C:1]([H:18])([H:19])[H:20])=[O:3])C([H])([H])C1:C([H]):C([H]):C([H]):C([H]):C:1[H]
Derived Operators
EVODEX.1-F191 - Elemental Balance
| C | 9 |
| O | 1 |
| N | 1 |
| H | 9 |
EVODEX.1-M125 - Mass Difference
147.06847
EVODEX.1-E889 - Reaction Operator E
[#6:12]-[#6:13](=[#8:14])-[#8]-[H]>>[#6:12]-[#6:13](=[#8:14])-[#7](-[#6@@](-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H]
EVODEX.1-C705 - Reaction Operator C
[H]-[#8]-[#6:9]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:9])-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H]
EVODEX.1-N870 - Reaction Operator N
[H]-[#8]-[#6:9](-[#6@@:2])=[#8:10]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:9](-[#6@@:2])=[#8:10])-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H]
EVODEX.1-Em11 - Reaction Operator Em
[H]-[#8]-[#6:42](-[#6:40])=[#8:43]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]
EVODEX.1-Nm11 - Reaction Operator Nm
[H]-[#8]-[#6:42](-[#6:40])=[#8:43]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]
Source Full Reactions
EVODEX.1-R6470
[C:1]([C:2](=[O:3])[O:4][H:17])([H:18])([H:19])[H:20].[H][N:5]([C@:6]([C:7]([C:8]1:[C:9]([H:21]):[C:10]([H:22]):[C:11]([H:23]):[C:12]([H:24]):[C:13]:1[H:25])([H:26])[H:27])([C:14](=[O:15])[O:16][H:28])[H:29])[H:30]>>[C:1]([C:2](=[O:3])[N:5]([C@:6]([C:7]([C:8]1:[C:9]([H:21]):[C:10]([H:22]):[C:11]([H:23]):[C:12]([H:24]):[C:13]:1[H:25])([H:26])[H:27])([C:14](=[O:15])[O:16][H:28])[H:29])[H:30])([H:18])([H:19])[H:20].[H][O:4][H:17]