SMIRKS
[C:1]([O:2][C:3]1:[C:4]([H:14]):[C:5]([H:15]):[C:6]([C:7]([C:8]#[N:9])([H:16])[H:17]):[C:10]([H:18]):[C:11]:1[H:19])([H:20])([H:21])[H:22].[H][O:12][H]>>[H]O[C:8]([C:7]([C:6]1:[C:5]([H:15]):[C:4]([H:14]):[C:3]([O:2][C:1]([H:20])([H:21])[H:22]):[C:11]([H:19]):[C:10]:1[H:18])([H:16])[H:17])=[O:12].[H][N:9]([H])[H]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-E346 - Reaction Operator E
[#7:1]#[#6:2]-[#6:3].[#8:8](-[H])-[H]>>[#6:2](-[#6:3])(=[#8:8])-[#8]-[H].[#7:1](-[H])(-[H])-[H]
EVODEX.1-C137 - Reaction Operator C
[#6:5]#[#7:6].[H]-[#8:7]-[H]>>[H]-[#8]-[#6:5]=[#8:7].[H]-[#7:6](-[H])-[H]
EVODEX.1-N58 - Reaction Operator N
[#6:4]-[#6:5]#[#7:6].[H]-[#8:7]-[H]>>[H]-[#8]-[#6:5](-[#6:4])=[#8:7].[H]-[#7:6](-[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-R6566
[C:1]([O:2][C:3]1:[C:4]([H:14]):[C:5]([H:15]):[C:6]([C:7]([C:8]#[N:9])([H:16])[H:17]):[C:10]([H:18]):[C:11]:1[H:19])([H:20])([H:21])[H:22].[H][O:12][H].[H][O:13][H:25]>>[C:1]([O:2][C:3]1:[C:4]([H:14]):[C:5]([H:15]):[C:6]([C:7]([C:8](=[O:12])[O:13][H:25])([H:16])[H:17]):[C:10]([H:18]):[C:11]:1[H:19])([H:20])([H:21])[H:22].[H][N:9]([H])[H]