SMIRKS
N#[C:2][C:3](=[C:4]([C:5]1:[C:6]([H:14]):[C:7]([H:15]):[C:8]([O:9][H:16]):[C:10]([H:17]):[C:11]:1[H:18])[H:19])[H:20].[H][O:12][H]>>[H]O[C:2]([C:3](=[C:4]([C:5]1:[C:6]([H:14]):[C:7]([H:15]):[C:8]([O:9][H:16]):[C:10]([H:17]):[C:11]:1[H:18])[H:19])[H:20])=[O:12]
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-R6595
[N:1]#[C:2][C:3](=[C:4]([C:5]1:[C:6]([H:14]):[C:7]([H:15]):[C:8]([O:9][H:16]):[C:10]([H:17]):[C:11]:1[H:18])[H:19])[H:20].[H][O:12][H].[H][O:13][H:23]>>[C:2]([C:3](=[C:4]([C:5]1:[C:6]([H:14]):[C:7]([H:15]):[C:8]([O:9][H:16]):[C:10]([H:17]):[C:11]:1[H:18])[H:19])[H:20])(=[O:12])[O:13][H:23].[H][N:1]([H])[H]