SMIRKS
[H]N([H])[C:2]([H])([C:1]([H:27])([H:28])[H:29])[C:4]([C:5]([C:6]1:[C:7]([H:17]):[C:8]([H:18]):[C:9]([H:19]):[C:10]([H:20]):[C:11]:1[H:21])([H:22])[H:23])([H:24])[H:25].[O:13]=[O:14].[H][O:12][H]>>[C:1]([C:2]([C:4]([C:5]([C:6]1:[C:7]([H:17]):[C:8]([H:18]):[C:9]([H:19]):[C:10]([H:20]):[C:11]:1[H:21])([H:22])[H:23])([H:24])[H:25])=[O:12])([H:27])([H:28])[H:29].[H][O:13][O:14][H]
Derived Operators
EVODEX.1-F73 - Elemental Balance
| N | -1 |
| H | -3 |
EVODEX.1-M12 - Mass Difference
-17.02659
EVODEX.1-E634 - Reaction Operator E
[#7](-[#6:2](-[#6:3])(-[#6:9])-[H])(-[H])-[H].[#8:16]=[#8:17].[#8:15](-[H])-[H]>>[#6:2](-[#6:3])(-[#6:9])=[#8:15].[#8:16](-[#8:17]-[H])-[H]
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-Em356 - Reaction Operator Em
[H]-[#7](-[H])-[#6:2](-[H])(-[#6:1])-[#6:4].[#8:13]=[#8:14].[H]-[#8:12]-[H]>>[#6:1]-[#6:2](-[#6:4])=[#8:12].[H]-[#8:13]-[#8:14]-[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-R937
[H][C:2]([C:1]([H:27])([H:28])[H:29])([N:3]([H:15])[H:16])[C:4]([C:5]([C:6]1:[C:7]([H:17]):[C:8]([H:18]):[C:9]([H:19]):[C:10]([H:20]):[C:11]:1[H:21])([H:22])[H:23])([H:24])[H:25].[O:13]=[O:14].[H][O:12][H]>>[C:1]([C:2]([C:4]([C:5]([C:6]1:[C:7]([H:17]):[C:8]([H:18]):[C:9]([H:19]):[C:10]([H:20]):[C:11]:1[H:21])([H:22])[H:23])([H:24])[H:25])=[O:12])([H:27])([H:28])[H:29].[H][N:3]([H:15])[H:16].[H][O:13][O:14][H]