SMIRKS
[H]OC(=O)[C@@]([H])(N([H])[C:3](=[O:2])[C:11]1:[C:12]([H:27]):[C:13]([H:28]):[C:14]([H:29]):[C:15]2:[C:16]([H:30]):[C:17]([H:31]):[C:18]([H:32]):[C:19]([H:33]):[C:20]:1:2)C([H])([H])O[H].[H][O:1][H:34]>>[O:1]([C:3](=[O:2])[C:11]1:[C:12]([H:27]):[C:13]([H:28]):[C:14]([H:29]):[C:15]2:[C:16]([H:30]):[C:17]([H:31]):[C:18]([H:32]):[C:19]([H:33]):[C:20]:1:2)[H:34]
Derived Operators
EVODEX.1-F61 - Elemental Balance
| C | -3 |
| O | -3 |
| N | -1 |
| H | -7 |
EVODEX.1-M562 - Mass Difference
-105.04261
EVODEX.1-E597 - Reaction Operator E
[#8:2]=[#6:3](-[#7](-[#6](-[#6](-[#8]-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H])-[#6:11].[#8:1](-[H:28])-[H]>>[#8:1](-[#6:3](=[#8:2])-[#6:11])-[H:28]
EVODEX.1-C1011 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[#7](-[H])-[#6:2])-[#6](-[H])(-[H])-[#8]-[H].[H]-[#8:11]>>[#6:2]-[#8:11]
EVODEX.1-N1264 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[#7](-[H])-[#6:2](-[#6:1])=[#8:3])-[#6](-[H])(-[H])-[#8]-[H].[H]-[#8:11]-[H:21]>>[#6:1]-[#6:2](=[#8:3])-[#8:11]-[H:21]
EVODEX.1-Em2 - Reaction Operator Em
[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]
EVODEX.1-Nm2 - Reaction Operator Nm
[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]
Source Full Reactions
EVODEX.1-R5960
[O:2]=[C:3]([N:4]([C@@:5]([C:6]([O:7][H:21])([H:22])[H:23])([C:8](=[O:9])[O:10][H:24])[H:25])[H:26])[C:11]1:[C:12]([H:27]):[C:13]([H:28]):[C:14]([H:29]):[C:15]2:[C:16]([H:30]):[C:17]([H:31]):[C:18]([H:32]):[C:19]([H:33]):[C:20]:1:2.[H][O:1][H:34]>>[H][N:4]([C@@:5]([C:6]([O:7][H:21])([H:22])[H:23])([C:8](=[O:9])[O:10][H:24])[H:25])[H:26].[O:1]([C:3](=[O:2])[C:11]1:[C:12]([H:27]):[C:13]([H:28]):[C:14]([H:29]):[C:15]2:[C:16]([H:30]):[C:17]([H:31]):[C:18]([H:32]):[C:19]([H:33]):[C:20]:1:2)[H:34]