SMIRKS
[H]N([H])[C@:2]([H])([C:1]([H:27])([H:28])[H:29])[C:4]1:[C:5]([H:19]):[C:6]([H:20]):[C:7]2:[C:8]([H:21]):[C:9]([H:22]):[C:10]([H:23]):[C:11]([H:24]):[C:12]:2:[C:13]:1[H:25].[H][O:14][H]>>[C:1]([C:2]([C:4]1:[C:5]([H:19]):[C:6]([H:20]):[C:7]2:[C:8]([H:21]):[C:9]([H:22]):[C:10]([H:23]):[C:11]([H:24]):[C:12]:2:[C:13]:1[H:25])=[O:14])([H:27])([H:28])[H:29]
Derived Operators
EVODEX.1-F71 - Elemental Balance
| N | -1 |
| H | -5 |
EVODEX.1-M59 - Mass Difference
-19.04225
EVODEX.1-E619 - Reaction Operator E
[#7](-[#6:2](-[#6:3])(-[#6:9])-[H])(-[H])-[H].[#8:15](-[H])-[H]>>[#6:2](-[#6:3])(-[#6:9])=[#8:15]
EVODEX.1-N34 - Reaction Operator N
[H]-[#7](-[H])-[#6@:2](-[H])(-[#6:1])-[#6:4].[H]-[#8:14]-[H]>>[#6:1]-[#6:2](-[#6:4])=[#8:14]
EVODEX.1-Em358 - Reaction Operator Em
[H]-[#7](-[H])-[#6:2](-[H])(-[#6:1])-[#6:4].[H]-[#8:14]-[H]>>[#6:1]-[#6:2](-[#6:4])=[#8:14]
EVODEX.1-Nm106 - Reaction Operator Nm
[H]-[#7](-[H])-[#6:2](-[H])(-[#6:1])-[#6:4].[H]-[#8:14]-[H]>>[#6:1]-[#6:2](-[#6:4])=[#8:14]
Source Full Reactions
EVODEX.1-R1006
[H][C@:2]([C:1]([H:27])([H:28])[H:29])([N:3]([H:17])[H:18])[C:4]1:[C:5]([H:19]):[C:6]([H:20]):[C:7]2:[C:8]([H:21]):[C:9]([H:22]):[C:10]([H:23]):[C:11]([H:24]):[C:12]:2:[C:13]:1[H:25].[O:15]=[O:16].[H][O:14][H]>>[C:1]([C:2]([C:4]1:[C:5]([H:19]):[C:6]([H:20]):[C:7]2:[C:8]([H:21]):[C:9]([H:22]):[C:10]([H:23]):[C:11]([H:24]):[C:12]:2:[C:13]:1[H:25])=[O:14])([H:27])([H:28])[H:29].[H][N:3]([H:17])[H:18].[H][O:15][O:16][H]