SMIRKS
[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(C(=O)O[H])N([H])[C:9](=[O:10])[C:11]1:[C:12]([H:31]):[C:13]([F:14]):[C:15]([N:16]([C:17]([C:18]([I:19])([H:32])[H:33])([H:34])[H:35])[C:20]([C:21]([I:22])([H:36])[H:37])([H:38])[H:39]):[C:23]([F:24]):[C:25]:1[F:26].[H][O:1][H:47]>>[O:1]([C:9](=[O:10])[C:11]1:[C:12]([H:31]):[C:13]([F:14]):[C:15]([N:16]([C:17]([C:18]([I:19])([H:32])[H:33])([H:34])[H:35])[C:20]([C:21]([I:22])([H:36])[H:37])([H:38])[H:39]):[C:23]([F:24]):[C:25]:1[F:26])[H:47]
Derived Operators
EVODEX.1-F279 - Elemental Balance
| O | -4 |
| C | -5 |
| N | -1 |
| H | -9 |
EVODEX.1-M36 - Mass Difference
-147.05317
EVODEX.1-E1034 - Reaction Operator E
[#6:6]-[#6:7](=[#8:8])-[#7](-[#6@@](-[#6](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H].[#8:1](-[H:32])-[H]>>[#8:1](-[#6:7](-[#6:6])=[#8:8])-[H:32]
EVODEX.1-C918 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#8]-[H])-[#7](-[H])-[#6:9].[H]-[#8:1]>>[#8:1]-[#6:9]
EVODEX.1-N1147 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#8]-[H])-[#7](-[H])-[#6:9](=[#8:10])-[#6:11].[H]-[#8:1]-[H:47]>>[#8:1](-[#6:9](=[#8:10])-[#6:11])-[H:47]
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-R5697
[O:2]=[C:3]([O:4][H:30])[C:5]([C:6]([C@:7]([N:8]([C:9](=[O:10])[C:11]1:[C:12]([H:31]):[C:13]([F:14]):[C:15]([N:16]([C:17]([C:18]([I:19])([H:32])[H:33])([H:34])[H:35])[C:20]([C:21]([I:22])([H:36])[H:37])([H:38])[H:39]):[C:23]([F:24]):[C:25]:1[F:26])[H:40])([C:27](=[O:28])[O:29][H:41])[H:42])([H:43])[H:44])([H:45])[H:46].[H][O:1][H:47]>>[H][N:8]([C@@:7]([C:6]([C:5]([C:3](=[O:2])[O:4][H:30])([H:45])[H:46])([H:43])[H:44])([C:27](=[O:28])[O:29][H:41])[H:42])[H:40].[O:1]([C:9](=[O:10])[C:11]1:[C:12]([H:31]):[C:13]([F:14]):[C:15]([N:16]([C:17]([C:18]([I:19])([H:32])[H:33])([H:34])[H:35])[C:20]([C:21]([I:22])([H:36])[H:37])([H:38])[H:39]):[C:23]([F:24]):[C:25]:1[F:26])[H:47]