SMIRKS
[O:10]=[C:11]([O:12][H:28])[C:13]([C:14]([C:15]([C:16](=[O:17])[C:18](=[O:19])[O:20][H:29])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35]>>[H]OC(=O)C(C([H])([H])C(=O)O[H])=[O:17].[H]N([H])[C:16]([H])([C:15]([C:14]([C:13]([C:11](=[O:10])[O:12][H:28])([H:34])[H:35])([H:32])[H:33])([H:30])[H:31])[C:18](=[O:19])[O:20][H:29]
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-R3841
[H][C@@:2]([N:1]([H:26])[H:27])([C:3]([C:4](=[O:5])[O:6][H:21])([H:22])[H:23])[C:7](=[O:8])[O:9][H:24].[O:10]=[C:11]([O:12][H:28])[C:13]([C:14]([C:15]([C:16](=[O:17])[C:18](=[O:19])[O:20][H:29])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35]>>[C:2]([C:3]([C:4](=[O:5])[O:6][H:21])([H:22])[H:23])([C:7](=[O:8])[O:9][H:24])=[O:17].[H][C:16]([N:1]([H:26])[H:27])([C:15]([C:14]([C:13]([C:11](=[O:10])[O:12][H:28])([H:34])[H:35])([H:32])[H:33])([H:30])[H:31])[C:18](=[O:19])[O:20][H:29]