SMIRKS
[C:1]([C:2]1:[C:3]([H:14]):[C:4]([H:15]):[C:5]([H:16]):[C:6]([H:17]):[C:7]:1[C:8]([O:9][H:18])([C:10]#[N:11])[H:19])([H:20])([H:21])[H:22].[H][O:12][H]>>[H]O[C:10]([C@@:8]([C:7]1:[C:2]([C:1]([H:20])([H:21])[H:22]):[C:3]([H:14]):[C:4]([H:15]):[C:5]([H:16]):[C:6]:1[H:17])([O:9][H:18])[H:19])=[O:12].[H][N:11]([H])[H]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-E391 - Reaction Operator E
[#6:2]-[#6:3](-[#8:4])(-[#6:5]#[#7:6])-[H:10].[#8:7](-[H])-[H]>>[#6:2]-[#6@:3](-[#8:4])(-[#6:5](=[#8:7])-[#8]-[H])-[H:10].[#7:6](-[H])(-[H])-[H]
EVODEX.1-C711 - Reaction Operator C
[#6:8]-[#6:10]#[#7:11].[H]-[#8:12]-[H]>>[H]-[#8]-[#6:10](-[#6@@:8])=[#8:12].[H]-[#7:11](-[H])-[H]
EVODEX.1-N876 - Reaction Operator N
[#6:7]-[#6:8](-[#8:9])(-[#6:10]#[#7:11])-[H:19].[H]-[#8:12]-[H]>>[H]-[#8]-[#6:10](-[#6@@:8](-[#6:7])(-[#8:9])-[H:19])=[#8:12].[H]-[#7:11](-[H])-[H]
EVODEX.1-Em134 - Reaction Operator Em
[#6:8]-[#6:10]#[#7:11].[H]-[#8:12]-[H]>>[H]-[#8]-[#6:10](-[#6:8])=[#8:12].[H]-[#7:11](-[H])-[H]
EVODEX.1-Cm106 - Reaction Operator Cm
[#6:5]#[#7:6].[H]-[#8:7]-[H]>>[#8]-[#6:5]=[#8:7].[H]-[#7:6](-[H])-[H]
EVODEX.1-Nm89 - Reaction Operator Nm
[#6:4]-[#6:5]#[#7:6].[H]-[#8:7]-[H]>>[H]-[#8]-[#6:5](-[#6:4])=[#8:7].[H]-[#7:6](-[H])-[H]
Source Full Reactions
EVODEX.1-R6594
[C:1]([C:2]1:[C:3]([H:14]):[C:4]([H:15]):[C:5]([H:16]):[C:6]([H:17]):[C:7]:1[C:8]([O:9][H:18])([C:10]#[N:11])[H:19])([H:20])([H:21])[H:22].[H][O:12][H].[H][O:13][H:25]>>[C:1]([C:2]1:[C:3]([H:14]):[C:4]([H:15]):[C:5]([H:16]):[C:6]([H:17]):[C:7]:1[C@@:8]([O:9][H:18])([C:10](=[O:12])[O:13][H:25])[H:19])([H:20])([H:21])[H:22].[H][N:11]([H])[H]