SMIRKS
[O:11]=[C:12]([O:13][H:32])[C:14]([C:15](=[O: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]OC(=O)C([H])([H])C([H])([H])C(=O)C(O[H])=[O:16].[H]N([H])[C@@:15]([H])([C:14]([C:12](=[O:11])[O:13][H:32])([H:38])[H:39])[C:17]1:[C:18]([H:33]):[C:19]([H:34]):[C:20]([H:35]):[C:21]([H:36]):[C:22]:1[H:37]
Derived Operators
EVODEX.1-F179 - Elemental Balance
| O | 4 |
| C | 5 |
| N | 1 |
| H | 9 |
EVODEX.1-M35 - Mass Difference
147.05317
EVODEX.1-E868 - Reaction Operator E
[#6:6](-[#6@:5])(=[#8:7])-[#6@@:8]>>[#7](-[#6@@:6](-[#6@:5])(-[H])-[#6@@:8])(-[H])-[H].[#8:7]=[#6](-[#6](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])(-[H])-[H])-[#6](=[#8])-[#8]-[H]
EVODEX.1-C87 - Reaction Operator C
[#6:14]=[#8:15]>>[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8]-[H])=[#8:15].[H]-[#7](-[H])-[#6@:14]-[H]
EVODEX.1-N91 - Reaction Operator N
[#6:12]-[#6:14](=[#8:15])-[#6:16]>>[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8]-[H])=[#8:15].[H]-[#7](-[H])-[#6@:14](-[H])(-[#6:12])-[#6:16]
EVODEX.1-Em812 - Reaction Operator Em
[#6:14]-[#6:15](=[#8:16])-[#6:17]>>[#6](=[#8])-[#6](-[#8])=[#8:16].[H]-[#7](-[H])-[#6:15](-[H])(-[#6:14])-[#6:17]
EVODEX.1-Nm733 - Reaction Operator Nm
[#6:14]-[#6:15](=[#8:16])-[#6:17]>>[#6]-[#6](-[#8])=[#8:16].[H]-[#7](-[H])-[#6:15](-[H])(-[#6:14])-[#6:17]
Source Full Reactions
EVODEX.1-R3579
[H][C:2]([N:1]([H:30])[H:31])([O:3][H:23])[C:4](=[O:5])[C:6]([C:7]([C:8](=[O:9])[O:10][H:24])([H:25])[H:26])([H:27])[H:28].[O:11]=[C:12]([O:13][H:32])[C:14]([C:15](=[O: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]([O:3][H:23])([C:4](=[O:5])[C:6]([C:7]([C:8](=[O:9])[O:10][H:24])([H:25])[H:26])([H:27])[H:28])=[O:16].[H][C@:15]([N:1]([H:30])[H:31])([C:14]([C:12](=[O:11])[O:13][H:32])([H:38])[H:39])[C:17]1:[C:18]([H:33]):[C:19]([H:34]):[C:20]([H:35]):[C:21]([H:36]):[C:22]:1[H:37]