SMIRKS
[H]N([H])[C@:5]([H])([C@@:3]([C:2]([C:1]([H:23])([H:24])[H:25])([H:21])[H:22])([C:4]([H:13])([H:14])[H:15])[H:20])[C:7](=[O:8])[O:9][H:18].[O:11]=[O:12].[H][O:10][H]>>[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5]([C:7](=[O:8])[O:9][H:18])=[O:10])[H:20])([H:21])[H:22])([H:23])([H:24])[H:25].[H][O:11][O:12][H]
Derived Operators
EVODEX.1-F73 - Elemental Balance
| N | -1 |
| H | -3 |
EVODEX.1-M12 - Mass Difference
-17.02659
EVODEX.1-C62 - Reaction Operator C
[H]-[#7](-[H])-[#6:2]-[H].[#8:10]=[#8:11].[H]-[#8:9]-[H]>>[#6:2]=[#8:9].[H]-[#8:10]-[#8:11]-[H]
EVODEX.1-N46 - Reaction Operator N
[H]-[#7](-[H])-[#6@@:2](-[H])(-[#6:3])-[#6:6].[#8:14]=[#8:15].[H]-[#8:13]-[H]>>[#6:2](-[#6:3])(-[#6:6])=[#8:13].[H]-[#8:14]-[#8:15]-[H]
EVODEX.1-Em354 - Reaction Operator Em
[H]-[#7](-[H])-[#6:2](-[H])(-[#6:3]=[#8:4])-[#6:6].[#8:14]=[#8:15].[H]-[#8:13]-[H]>>[#6:2](-[#6:3]=[#8:4])(-[#6:6])=[#8:13].[H]-[#8:14]-[#8:15]-[H]
EVODEX.1-Cm99 - Reaction Operator Cm
[#7]-[#6:2]-[H].[#8:10]=[#8:11].[H]-[#8:9]-[H]>>[#6:2]=[#8:9].[H]-[#8:10]-[#8:11]-[H]
EVODEX.1-Nm119 - Reaction Operator Nm
[H]-[#7](-[H])-[#6:2](-[H])(-[#6:3])-[#6:6].[#8:14]=[#8:15].[H]-[#8:13]-[H]>>[#6:2](-[#6:3])(-[#6:6])=[#8:13].[H]-[#8:14]-[#8:15]-[H]
Source Full Reactions
EVODEX.1-R946
[H][C@:5]([C@@:3]([C:2]([C:1]([H:23])([H:24])[H:25])([H:21])[H:22])([C:4]([H:13])([H:14])[H:15])[H:20])([N:6]([H:16])[H:17])[C:7](=[O:8])[O:9][H:18].[O:11]=[O:12].[H][O:10][H]>>[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5]([C:7](=[O:8])[O:9][H:18])=[O:10])[H:20])([H:21])[H:22])([H:23])([H:24])[H:25].[H][N:6]([H:16])[H:17].[H][O:11][O:12][H]