SMIRKS
[O:3]=[C:4]1[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[S:7][C:8]1([H:14])[H:15]>>[H][O:3][C@:4]1(C#N)[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[S:7][C:8]1([H:14])[H:15]
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-R6825
[H][C:1]#[N:2].[O:3]=[C:4]1[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[S:7][C:8]1([H:14])[H:15]>>[H][O:3][C@:4]1([C:1]#[N:2])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[S:7][C:8]1([H:14])[H:15]