SMIRKS
[H][C:18]1([H:27])[C@:16]([F:17])([H:26])[C:15]([H:24])([H:25])[C@:14]([C:12](=[O:11])[O:13][H:22])([H:23])[N:19]1[H:29].[H]OC(=O)[C:6]([C:5]([C:4]([C:2](=[O:1])[O:3][H:30])([H:34])[H:35])([H:32])[H:33])=[O:7].[O:20]=[O:21]>>[H][O:20][C:18]1([H:27])[C@:16]([F:17])([H:26])[C:15]([H:24])([H:25])[C@:14]([C:12](=[O:11])[O:13][H:22])([H:23])[N:19]1[H:29].[H][O:21][C:6]([C:5]([C:4]([C:2](=[O:1])[O:3][H:30])([H:34])[H:35])([H:32])[H:33])=[O:7]
Derived Operators
EVODEX.1-F55 - Elemental Balance
| O | -2 |
| C | -1 |
EVODEX.1-M14 - Mass Difference
-43.9898
EVODEX.1-E583 - Reaction Operator E
[#7:4]-[#6:5](-[#6:6])(-[H:36])-[H].[#6:18]-[#6:19](=[#8:20])-[#6](=[#8])-[#8]-[H].[#8:24]=[#8:25]>>[#7:4]-[#6:5](-[#6:6])(-[#8:24]-[H])-[H:36].[#6:18]-[#6:19](=[#8:20])-[#8:25]-[H]
EVODEX.1-C55 - Reaction Operator C
[H]-[#6:5].[H]-[#8]-[#6](=[#8])-[#6:19].[#8:24]=[#8:25]>>[H]-[#8:24]-[#6:5].[H]-[#8:25]-[#6:19]
EVODEX.1-N162 - Reaction Operator N
[H]-[#6:5](-[#7:4])(-[#6:6])-[H:36].[H]-[#8]-[#6](=[#8])-[#6:19](-[#6:18])=[#8:20].[#8:24]=[#8:25]>>[H]-[#8:24]-[#6:5](-[#7:4])(-[#6:6])-[H:36].[H]-[#8:25]-[#6:19](-[#6:18])=[#8:20]
EVODEX.1-Em244 - Reaction Operator Em
[H]-[#6:5](-[#7:4])-[#6:6].[#8]-[#6](=[#8])-[#6:19](-[#6:18])=[#8:20].[#8:24]=[#8:25]>>[H]-[#8:24]-[#6:5](-[#7:4])-[#6:6].[H]-[#8:25]-[#6:19](-[#6:18])=[#8:20]
EVODEX.1-Cm92 - Reaction Operator Cm
[H]-[#6:5].[#6]-[#6:19].[#8:24]=[#8:25]>>[H]-[#8:24]-[#6:5].[H]-[#8:25]-[#6:19]
EVODEX.1-Nm242 - Reaction Operator Nm
[H]-[#6:5](-[#7:4])-[#6:6].[#8]-[#6](=[#8])-[#6:19](-[#6:18])=[#8:20].[#8:24]=[#8:25]>>[H]-[#8:24]-[#6:5](-[#7:4])-[#6:6].[H]-[#8:25]-[#6:19](-[#6:18])=[#8:20]
Source Full Reactions
EVODEX.1-R374
[H][C:18]1([H:27])[C@:16]([F:17])([H:26])[C:15]([H:24])([H:25])[C@:14]([C:12](=[O:11])[O:13][H:22])([H:23])[N:19]1[H:29].[H][O:10][C:8]([C:6]([C:5]([C:4]([C:2](=[O:1])[O:3][H:30])([H:34])[H:35])([H:32])[H:33])=[O:7])=[O:9].[O:20]=[O:21]>>[C:8](=[O:9])=[O:10].[H][O:20][C:18]1([H:27])[C@:16]([F:17])([H:26])[C:15]([H:24])([H:25])[C@:14]([C:12](=[O:11])[O:13][H:22])([H:23])[N:19]1[H:29].[H][O:21][C:6]([C:5]([C:4]([C:2](=[O:1])[O:3][H:30])([H:34])[H:35])([H:32])[H:33])=[O:7]