SMIRKS
[O:14]=[C:15]([O:16][H:35])[C:17]([C:18]([C:19](=[O:20])[C:21](=[O:22])[O:23][H:36])([H:37])[H:38])([H:39])[H:40]>>[H]OC(=O)C(C([H])([H])C1:C([H]):C([H]):C(O[H]):C([H]):C:1[H])=[O:20].[H]N([H])[C@@:19]([H])([C:18]([C:17]([C:15](=[O:14])[O:16][H:35])([H:39])[H:40])([H:37])[H:38])[C:21](=[O:22])[O:23][H:36]
Derived Operators
EVODEX.1-F88 - Elemental Balance
| O | 3 |
| C | 9 |
| N | 1 |
| H | 11 |
EVODEX.1-M61 - Mass Difference
181.07393
EVODEX.1-E659 - Reaction Operator E
[#6:2]-[#6:3](=[#8:4])-[#6:5]=[#8:6]>>[#6:2]-[#6:3](-[#6:5]=[#8:6])(-[#7](-[H])-[H])-[H].[#8:4]=[#6](-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#8]-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H])-[#6](=[#8])-[#8]-[H]
EVODEX.1-C425 - Reaction Operator C
[#6:3]=[#8:4]>>[H]-[#7](-[H])-[#6:3]-[H].[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#8]-[H]):[#6](-[H]):[#6]:1-[H])=[#8:4]
EVODEX.1-N507 - Reaction Operator N
[#6:2]-[#6:3](=[#8:4])-[#6:5]>>[H]-[#7](-[H])-[#6:3](-[H])(-[#6:2])-[#6:5].[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#8]-[H]):[#6](-[H]):[#6]:1-[H])=[#8:4]
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-R3505
[H][C@:2]([N:1]([H:33])[H:34])([C:3]([C:4]1:[C:5]([H:24]):[C:6]([H:25]):[C:7]([O:8][H:26]):[C:9]([H:27]):[C:10]:1[H:28])([H:29])[H:30])[C:11](=[O:12])[O:13][H:31].[O:14]=[C:15]([O:16][H:35])[C:17]([C:18]([C:19](=[O:20])[C:21](=[O:22])[O:23][H:36])([H:37])[H:38])([H:39])[H:40]>>[C:2]([C:3]([C:4]1:[C:5]([H:24]):[C:6]([H:25]):[C:7]([O:8][H:26]):[C:9]([H:27]):[C:10]:1[H:28])([H:29])[H:30])([C:11](=[O:12])[O:13][H:31])=[O:20].[H][C@:19]([N:1]([H:33])[H:34])([C:18]([C:17]([C:15](=[O:14])[O:16][H:35])([H:39])[H:40])([H:37])[H:38])[C:21](=[O:22])[O:23][H:36]