SMIRKS
[C:3]([C:4]([C:5]([C:6]([C:7]([C:8](=[O:9])[C:10]([C:11]([H:12])([H:13])[H:14])([H:15])[H:16])([H:17])[H:18])([H:19])[H:20])([H:21])[H:22])([H:23])[H:24])([H:25])([H:26])[H:27]>>[H][O:9][C@:8](C#N)([C:7]([C:6]([C:5]([C:4]([C:3]([H:25])([H:26])[H:27])([H:23])[H:24])([H:21])[H:22])([H:19])[H:20])([H:17])[H:18])[C:10]([C:11]([H:12])([H:13])[H:14])([H:15])[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-R6949
[C:3]([C:4]([C:5]([C:6]([C:7]([C:8](=[O:9])[C:10]([C:11]([H:12])([H:13])[H:14])([H:15])[H:16])([H:17])[H:18])([H:19])[H:20])([H:21])[H:22])([H:23])[H:24])([H:25])([H:26])[H:27].[H][C:1]#[N:2]>>[H][O:9][C@:8]([C:1]#[N:2])([C:7]([C:6]([C:5]([C:4]([C:3]([H:25])([H:26])[H:27])([H:23])[H:24])([H:21])[H:22])([H:19])[H:20])([H:17])[H:18])[C:10]([C:11]([H:12])([H:13])[H:14])([H:15])[H:16]