SMIRKS
[H]OC(=O)C([H])([H])C([H])([H])[C@]([H])(C(=O)O[H])[N:1]([H:30])[H:31].O=[C:14]([C:12](=[O:11])[O:13][H:32])[C:16]([C:17]1:[C:18]([H:33]):[C:19]([H:34]):[C:20]([H:35]):[C:21]([H:36]):[C:22]:1[H:37])([H:38])[H:39]>>[H][C@:14]([N:1]([H:30])[H:31])([C:12](=[O:11])[O:13][H:32])[C:16]([C:17]1:[C:18]([H:33]):[C:19]([H:34]):[C:20]([H:35]):[C:21]([H:36]):[C:22]:1[H:37])([H:38])[H:39]
Derived Operators
EVODEX.1-F59 - Elemental Balance
| C | -5 |
| O | -5 |
| H | -6 |
EVODEX.1-M57 - Mass Difference
-146.02147999999997
EVODEX.1-C66 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#8]-[H])-[#7:1].[#8]=[#6:14]>>[H]-[#6@:14]-[#7:1]
EVODEX.1-N52 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#8]-[H])-[#7:1](-[H:30])-[H:31].[#8]=[#6:14](-[#6:12])-[#6:16]>>[H]-[#6@:14](-[#7:1](-[H:30])-[H:31])(-[#6:12])-[#6:16]
EVODEX.1-Em19 - Reaction Operator Em
[#6]-[#6](-[H])(-[#6])-[#7:5].[#8]=[#6:15](-[#6:14])-[#6:17]=[#8:18]>>[H]-[#6:15](-[#7:5])(-[#6:14])-[#6:17]=[#8:18]
EVODEX.1-Nm15 - Reaction Operator Nm
[#6]-[#6](-[H])(-[#6])-[#7:5].[#8]=[#6:15](-[#6:14])-[#6:17]>>[H]-[#6:15](-[#7:5])(-[#6:14])-[#6:17]
Source Full Reactions
EVODEX.1-R3602
[H][C@@:2]([N:1]([H:30])[H:31])([C:3]([C:4]([C:5](=[O:6])[O:7][H:23])([H:24])[H:25])([H:26])[H:27])[C:8](=[O:9])[O:10][H:28].[O:11]=[C:12]([O:13][H:32])[C:14](=[O:15])[C:16]([C:17]1:[C:18]([H:33]):[C:19]([H:34]):[C:20]([H:35]):[C:21]([H:36]):[C:22]:1[H:37])([H:38])[H:39]>>[C:2]([C:3]([C:4]([C:5](=[O:6])[O:7][H:23])([H:24])[H:25])([H:26])[H:27])([C:8](=[O:9])[O:10][H:28])=[O:15].[H][C@:14]([N:1]([H:30])[H:31])([C:12](=[O:11])[O:13][H:32])[C:16]([C:17]1:[C:18]([H:33]):[C:19]([H:34]):[C:20]([H:35]):[C:21]([H:36]):[C:22]:1[H:37])([H:38])[H:39]