SMIRKS
[C:3]([C:4](=[O:5])[C:6]1:[C:7]([H:13]):[C:8]([H:14]):[C:9]([Br:10]):[C:11]([H:15]):[C:12]:1[H:16])([H:17])([H:18])[H:19]>>[H][O:5][C:4](C#N)([C:3]([H:17])([H:18])[H:19])[C:6]1:[C:7]([H:13]):[C:8]([H:14]):[C:9]([Br:10]):[C:11]([H:15]):[C:12]:1[H:16]
Derived Operators
EVODEX.1-F296 - Elemental Balance
| C | 1 |
| N | 1 |
| H | 1 |
EVODEX.1-M146 - Mass Difference
27.01093
EVODEX.1-E1064 - Reaction Operator E
[#6:7]-[#6:8](=[#8:9])-[#6:10]>>[#6](#[#7])-[#6@:8](-[#6:7])(-[#8:9]-[H])-[#6:10]
EVODEX.1-N926 - Reaction Operator N
[#6:7]-[#6:8](=[#8:9])-[#6:10]>>[H]-[#8:9]-[#6@:8](-[#6]#[#7])(-[#6:7])-[#6:10]
EVODEX.1-Em735 - Reaction Operator Em
[#6:7]-[#6:8](=[#8:9])-[#6:10]>>[H]-[#8:9]-[#6:8](-[#6]#[#7])(-[#6:7])-[#6:10]
EVODEX.1-Nm664 - Reaction Operator Nm
[#6:7]-[#6:8](=[#8:9])-[#6:10]>>[H]-[#8:9]-[#6:8](-[#6]#[#7])(-[#6:7])-[#6:10]
Source Full Reactions
EVODEX.1-R6827
[C:3]([C:4](=[O:5])[C:6]1:[C:7]([H:13]):[C:8]([H:14]):[C:9]([Br:10]):[C:11]([H:15]):[C:12]:1[H:16])([H:17])([H:18])[H:19].[H][C:1]#[N:2]>>[H][O:5][C:4]([C:1]#[N:2])([C:3]([H:17])([H:18])[H:19])[C:6]1:[C:7]([H:13]):[C:8]([H:14]):[C:9]([Br:10]):[C:11]([H:15]):[C:12]:1[H:16]