SMIRKS
[H]OC(=O)C([H])(N([H])[C:3](=[O:2])[C:15]1:[C:16]([H:29]):[C:17]([H:30]):[C:18]([H:31]):[C:19]([H:32]):[C:20]:1[H:33])C([H])([H])C1:C([H]):N:C([H]):N:1[H].[H][O:1][H:34]>>[O:1]([C:3](=[O:2])[C:15]1:[C:16]([H:29]):[C:17]([H:30]):[C:18]([H:31]):[C:19]([H:32]):[C:20]:1[H:33])[H:34]
Derived Operators
EVODEX.1-F245 - Elemental Balance
| C | -6 |
| O | -2 |
| N | -3 |
| H | -9 |
EVODEX.1-M302 - Mass Difference
-155.06957
EVODEX.1-E969 - Reaction Operator E
[#8:2]=[#6:3](-[#7](-[#6](-[#6](-[#6]1:[#6](-[H]):[#7]:[#6](-[H]):[#7]:1-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H])-[#6:15].[#8:1](-[H:34])-[H]>>[#8:1](-[#6:3](=[#8:2])-[#6:15])-[H:34]
EVODEX.1-C596 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[#7](-[H])-[#6:3])-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#7]:[#6](-[H]):[#7]:1-[H].[H]-[#8:1]>>[#8:1]-[#6:3]
EVODEX.1-N753 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[#7](-[H])-[#6:3](=[#8:2])-[#6:15])-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#7]:[#6](-[H]):[#7]:1-[H].[H]-[#8:1]-[H:34]>>[#8:1](-[#6:3](=[#8:2])-[#6:15])-[H:34]
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-R6364
[O:2]=[C:3]([N:4]([C:5]([C:6]([C:7]1:[C:8]([H:21]):[N:9]:[C:10]([H:22]):[N:11]:1[H:23])([H:24])[H:25])([C:12](=[O:13])[O:14][H:26])[H:27])[H:28])[C:15]1:[C:16]([H:29]):[C:17]([H:30]):[C:18]([H:31]):[C:19]([H:32]):[C:20]:1[H:33].[H][O:1][H:34]>>[H][N:4]([C:5]([C:6]([C:7]1:[C:8]([H:21]):[N:9]:[C:10]([H:22]):[N:11]:1[H:23])([H:24])[H:25])([C:12](=[O:13])[O:14][H:26])[H:27])[H:28].[O:1]([C:3](=[O:2])[C:15]1:[C:16]([H:29]):[C:17]([H:30]):[C:18]([H:31]):[C:19]([H:32]):[C:20]:1[H:33])[H:34]