SMIRKS
[H]OC(=O)[C@@]([H])(N([H])[C:5]([C:4]([C:3]([N:2]([C:1]([H:32])([H:33])[H:34])[H:31])([H:29])[H:30])([H:27])[H:28])=[O:6])C([H])([H])C1:C([H]):N:C([H]):N:1[H].[H][O:18][H:35]>>[C:1]([N:2]([C:3]([C:4]([C:5](=[O:6])[O:18][H:35])([H:27])[H:28])([H:29])[H:30])[H:31])([H:32])([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-R5589
[C:1]([N:2]([C:3]([C:4]([C:5](=[O:6])[N:7]([C@@:8]([C:9]([C:10]1:[C:11]([H:19]):[N:12]:[C:13]([H:20]):[N:14]:1[H:21])([H:22])[H:23])([C:15](=[O:16])[O:17][H:24])[H:25])[H:26])([H:27])[H:28])([H:29])[H:30])[H:31])([H:32])([H:33])[H:34].[H][O:18][H:35]>>[C:1]([N:2]([C:3]([C:4]([C:5](=[O:6])[O:18][H:35])([H:27])[H:28])([H:29])[H:30])[H:31])([H:32])([H:33])[H:34].[H][N:7]([C@@:8]([C:9]([C:10]1:[C:11]([H:19]):[N:12]:[C:13]([H:20]):[N:14]:1[H:21])([H:22])[H:23])([C:15](=[O:16])[O:17][H:24])[H:25])[H:26]