SMIRKS
[H]OC(=O)C([H])([H])[C@@]([H])(C(=O)O[H])N([H])[C:8](=[O:9])[C:10]([C:11]1:[C:12]([H:21]):[C:13]([H:22]):[C:14]([H:23]):[C:15]([H:24]):[C:16]:1[H:25])([H:26])[H:27].[H][O:1][H:33]>>[O:1]([C:8](=[O:9])[C:10]([C:11]1:[C:12]([H:21]):[C:13]([H:22]):[C:14]([H:23]):[C:15]([H:24]):[C:16]:1[H:25])([H:26])[H:27])[H:33]
Derived Operators
EVODEX.1-F429 - Elemental Balance
| C | -4 |
| O | -4 |
| N | -1 |
| H | -7 |
EVODEX.1-M560 - Mass Difference
-133.03751
EVODEX.1-E1238 - Reaction Operator E
[#8]=[#6](-[#8]-[H])-[#6](-[#6@](-[#7](-[#6:8](=[#8:9])-[#6:10])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H].[#8:1](-[H:23])-[H]>>[#8:1](-[#6:8](=[#8:9])-[#6:10])-[H:23]
EVODEX.1-C568 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#8]-[H])-[#7](-[H])-[#6:8].[H]-[#8:1]>>[#8:1]-[#6:8]
EVODEX.1-N721 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#8]-[H])-[#7](-[H])-[#6:8](=[#8:9])-[#6:10].[H]-[#8:1]-[H:37]>>[#8:1](-[#6:8](=[#8:9])-[#6:10])-[H:37]
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-R6218
[O:2]=[C:3]([O:4][H:20])[C:5]([C@:6]([N:7]([C:8](=[O:9])[C:10]([C:11]1:[C:12]([H:21]):[C:13]([H:22]):[C:14]([H:23]):[C:15]([H:24]):[C:16]:1[H:25])([H:26])[H:27])[H:28])([C:17](=[O:18])[O:19][H:29])[H:30])([H:31])[H:32].[H][O:1][H:33]>>[H][N:7]([C@@:6]([C:5]([C:3](=[O:2])[O:4][H:20])([H:31])[H:32])([C:17](=[O:18])[O:19][H:29])[H:30])[H:28].[O:1]([C:8](=[O:9])[C:10]([C:11]1:[C:12]([H:21]):[C:13]([H:22]):[C:14]([H:23]):[C:15]([H:24]):[C:16]:1[H:25])([H:26])[H:27])[H:33]