SMIRKS
N#[C:2][C:3]([C:4]1:[C:5]([H:13]):[C:6]([H:14]):[C:7]([O:8][H:15]):[C:9]([H:16]):[C:10]:1[H:17])([H:18])[H:19].[H][O:11][H]>>[H]O[C:2]([C:3]([C:4]1:[C:5]([H:13]):[C:6]([H:14]):[C:7]([O:8][H:15]):[C:9]([H:16]):[C:10]:1[H:17])([H:18])[H:19])=[O:11]
Derived Operators
EVODEX.1-F74 - Elemental Balance
| O | 1 |
| N | -1 |
| H | -1 |
EVODEX.1-M17 - Mass Difference
0.9839699999999996
EVODEX.1-E637 - Reaction Operator E
[#7]#[#6:2]-[#6:3].[#8:8](-[H])-[H]>>[#6:2](-[#6:3])(=[#8:8])-[#8]-[H]
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-Em131 - Reaction Operator Em
[#7]#[#6:2]-[#6:3].[H]-[#8:12]-[H]>>[H]-[#8]-[#6:2](-[#6:3])=[#8:12]
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-R6568
[N:1]#[C:2][C:3]([C:4]1:[C:5]([H:13]):[C:6]([H:14]):[C:7]([O:8][H:15]):[C:9]([H:16]):[C:10]:1[H:17])([H:18])[H:19].[H][O:11][H].[H][O:12][H:22]>>[C:2]([C:3]([C:4]1:[C:5]([H:13]):[C:6]([H:14]):[C:7]([O:8][H:15]):[C:9]([H:16]):[C:10]:1[H:17])([H:18])[H:19])(=[O:11])[O:12][H:22].[H][N:1]([H])[H]