SMIRKS
[O:3]=[C:4]([C:5]1:[C:6]([H:13]):[C:7]([H:14]):[C:8]([H:15]):[C:9]([H:16]):[C:10]:1[I:11])[H:17]>>[H][O:3][C@@:4](C#N)([C:5]1:[C:6]([H:13]):[C:7]([H:14]):[C:8]([H:15]):[C:9]([H:16]):[C:10]:1[I:11])[H:17]
Derived Operators
EVODEX.1-F296 - Elemental Balance
| C | 1 |
| N | 1 |
| H | 1 |
EVODEX.1-M146 - Mass Difference
27.01093
EVODEX.1-E1063 - Reaction Operator E
[#6:9]-[#6:10](=[#8:11])-[H:12]>>[#6](#[#7])-[#6@:10](-[#6:9])(-[#8:11]-[H])-[H:12]
EVODEX.1-N920 - Reaction Operator N
[#8:3]=[#6:4](-[#6:5])-[H:19]>>[H]-[#8:3]-[#6@@:4](-[#6]#[#7])(-[#6:5])-[H:19]
Source Full Reactions
EVODEX.1-R6818
[H][C:1]#[N:2].[O:3]=[C:4]([C:5]1:[C:6]([H:13]):[C:7]([H:14]):[C:8]([H:15]):[C:9]([H:16]):[C:10]:1[I:11])[H:17]>>[H][O:3][C@@:4]([C:1]#[N:2])([C:5]1:[C:6]([H:13]):[C:7]([H:14]):[C:8]([H:15]):[C:9]([H:16]):[C:10]:1[I:11])[H:17]