SMIRKS
N#[C:6][C:5](=[C:4]([O:3][C:2]([C:1]([H:14])([H:15])[H:16])([H:12])[H:13])[H:11])[H:10].[H][O:8][H]>>[H]O[C:6]([C:5](=[C:4]([O:3][C:2]([C:1]([H:14])([H:15])[H:16])([H:12])[H:13])[H:11])[H:10])=[O:8]
Derived Operators
EVODEX.1-F74 - Elemental Balance
O | 1 |
N | -1 |
H | -1 |
EVODEX.1-M17 - Mass Difference
0.9839699999999996
EVODEX.1-N56 - Reaction Operator N
[#7]#[#6:4]-[#6:2].[H]-[#8:6]-[H]>>[H]-[#8]-[#6:4](-[#6:2])=[#8:6]
EVODEX.1-Em689 - Reaction Operator Em
[#7]#[#6:4]-[#6:2]=[#6:1].[H]-[#8:6]-[H]>>[H]-[#8]-[#6:4](-[#6:2]=[#6:1])=[#8:6]
EVODEX.1-Nm87 - Reaction Operator Nm
[#7]#[#6:4]-[#6:2].[H]-[#8:6]-[H]>>[H]-[#8]-[#6:4](-[#6:2])=[#8:6]
Source Full Reactions
EVODEX.1-R6596
[C:1]([C:2]([O:3][C:4](=[C:5]([C:6]#[N:7])[H:10])[H:11])([H:12])[H:13])([H:14])([H:15])[H:16].[H][O:8][H].[H][O:9][H:19]>>[C:1]([C:2]([O:3][C:4](=[C:5]([C:6](=[O:8])[O:9][H:19])[H:10])[H:11])([H:12])[H:13])([H:14])([H:15])[H:16].[H][N:7]([H])[H]