SMIRKS
[N:1]([C:2](=[O:3])[C:4]([C:5]([C:6](=[O:7])[C:8](=[O:9])[O:10][H:27])([H:28])[H:29])([H:30])[H:31])([H:32])[H:33]>>[H]N([H])[C@@:6]([H])([C:5]([C:4]([C:2]([N:1]([H:32])[H:33])=[O:3])([H:30])[H:31])([H:28])[H:29])[C:8](=[O:9])[O:10][H:27].[H]OC(=O)C(C([H])([H])C(=O)O[H])=[O:7]
Derived Operators
EVODEX.1-F303 - Elemental Balance
| O | 4 |
| C | 4 |
| N | 1 |
| H | 7 |
EVODEX.1-M566 - 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-R3771
[H][C@:12]([N:11]([H:25])[H:26])([C:13]([C:14](=[O:15])[O:16][H:20])([H:21])[H:22])[C:17](=[O:18])[O:19][H:23].[N:1]([C:2](=[O:3])[C:4]([C:5]([C:6](=[O:7])[C:8](=[O:9])[O:10][H:27])([H:28])[H:29])([H:30])[H:31])([H:32])[H:33]>>[H][C@:6]([C:5]([C:4]([C:2]([N:1]([H:32])[H:33])=[O:3])([H:30])[H:31])([H:28])[H:29])([C:8](=[O:9])[O:10][H:27])[N:11]([H:25])[H:26].[O:7]=[C:12]([C:13]([C:14](=[O:15])[O:16][H:20])([H:21])[H:22])[C:17](=[O:18])[O:19][H:23]