SMIRKS
[O:10]=[C:11]([O:12][H:30])[C:13](=[O:14])[C:15]([C:16]1:[C:17]([H:31]):[C:18]([H:32]):[C:19]([O:20][H:33]):[C:21]([H:34]):[C:22]:1[H:35])([H:36])[H:37]>>[H]OC(=O)C(C([H])([H])C(=O)O[H])=[O:14].[H]N([H])[C@:13]([H])([C:11](=[O:10])[O:12][H:30])[C:15]([C:16]1:[C:17]([H:31]):[C:18]([H:32]):[C:19]([O:20][H:33]):[C:21]([H:34]):[C:22]:1[H:35])([H:36])[H:37]
Derived Operators
EVODEX.1-F189 - Elemental Balance
| C | 4 |
| O | 4 |
| N | 1 |
| H | 7 |
EVODEX.1-M558 - Mass Difference
133.03751
EVODEX.1-E885 - Reaction Operator E
[#6:15]-[#6:16](=[#8:17])-[#6:18]=[#8:19]>>[#6](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])=[#8:17].[#7](-[#6:16](-[#6:15])(-[#6:18]=[#8:19])-[H])(-[H])-[H]
EVODEX.1-C426 - Reaction Operator C
[#6:16]=[#8:17]>>[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6](=[#8])-[#8]-[H])=[#8:17].[H]-[#7](-[H])-[#6:16]-[H]
EVODEX.1-N508 - Reaction Operator N
[#6:15]-[#6:16](=[#8:17])-[#6:18]>>[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6](=[#8])-[#8]-[H])=[#8:17].[H]-[#7](-[H])-[#6:16](-[H])(-[#6:15])-[#6:18]
EVODEX.1-Em18 - Reaction Operator Em
[#8:10]=[#6:11]-[#6:13](=[#8:14])-[#6:15]>>[#6](=[#8])-[#6](-[#6])=[#8:14].[H]-[#7](-[H])-[#6:13](-[H])(-[#6:11]=[#8:10])-[#6:15]
EVODEX.1-Nm14 - Reaction Operator Nm
[#6:11]-[#6:13](=[#8:14])-[#6:15]>>[#6]-[#6](-[#6])=[#8:14].[H]-[#7](-[H])-[#6:13](-[H])(-[#6:11])-[#6:15]
Source Full Reactions
EVODEX.1-R3507
[H][C@:2]([N:1]([H:28])[H:29])([C:3]([C:4](=[O:5])[O:6][H:23])([H:24])[H:25])[C:7](=[O:8])[O:9][H:26].[O:10]=[C:11]([O:12][H:30])[C:13](=[O:14])[C:15]([C:16]1:[C:17]([H:31]):[C:18]([H:32]):[C:19]([O:20][H:33]):[C:21]([H:34]):[C:22]:1[H:35])([H:36])[H:37]>>[C:2]([C:3]([C:4](=[O:5])[O:6][H:23])([H:24])[H:25])([C:7](=[O:8])[O:9][H:26])=[O:14].[H][C@@:13]([N:1]([H:28])[H:29])([C:11](=[O:10])[O:12][H:30])[C:15]([C:16]1:[C:17]([H:31]):[C:18]([H:32]):[C:19]([O:20][H:33]):[C:21]([H:34]):[C:22]:1[H:35])([H:36])[H:37]