SMIRKS
[H]OC(=O)[C@@]([H])(N([H])[C:6](=[O:7])[C:8]1:[C:9]([H:19]):[C:10]([H:20]):[C:11]([H:21]):[C:12]([H:22]):[C:13]:1[H:23])[C@]([H])(O[H])C([H])([H])[H].[H][O:17][H:31]>>[C:6](=[O:7])([C:8]1:[C:9]([H:19]):[C:10]([H:20]):[C:11]([H:21]):[C:12]([H:22]):[C:13]:1[H:23])[O:17][H:31]
Derived Operators
EVODEX.1-F352 - Elemental Balance
| C | -4 |
| O | -3 |
| N | -1 |
| H | -9 |
EVODEX.1-M356 - Mass Difference
-119.05827
EVODEX.1-E1143 - Reaction Operator E
[#6](-[#6@@](-[#8]-[H])(-[#6@](-[#7](-[#6:6](=[#8:7])-[#6:8])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H])(-[H])(-[H])-[H].[#8:13](-[H:24])-[H]>>[#6:6](=[#8:7])(-[#6:8])-[#8:13]-[H:24]
EVODEX.1-C570 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:2])-[#6@](-[H])(-[#8]-[H])-[#6](-[H])(-[H])-[H].[H]-[#8:12]>>[#6:2]-[#8:12]
EVODEX.1-N724 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:2](-[#6:1])=[#8:3])-[#6@](-[H])(-[#8]-[H])-[#6](-[H])(-[H])-[H].[H]-[#8:12]-[H:24]>>[#6:1]-[#6:2](=[#8:3])-[#8:12]-[H:24]
EVODEX.1-Em2 - Reaction Operator Em
[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]
EVODEX.1-Nm2 - Reaction Operator Nm
[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]
Source Full Reactions
EVODEX.1-R6253
[C:1]([C@@:2]([O:3][H:18])([C@:4]([N:5]([C:6](=[O:7])[C:8]1:[C:9]([H:19]):[C:10]([H:20]):[C:11]([H:21]):[C:12]([H:22]):[C:13]:1[H:23])[H:24])([C:14](=[O:15])[O:16][H:25])[H:26])[H:27])([H:28])([H:29])[H:30].[H][O:17][H:31]>>[C:6](=[O:7])([C:8]1:[C:9]([H:19]):[C:10]([H:20]):[C:11]([H:21]):[C:12]([H:22]):[C:13]:1[H:23])[O:17][H:31].[H][N:5]([C@@:4]([C@@:2]([C:1]([H:28])([H:29])[H:30])([O:3][H:18])[H:27])([C:14](=[O:15])[O:16][H:25])[H:26])[H:24]