SMIRKS
N#[C:2][C:3]([C:4]1:[C:5]([H:16]):[C:6]([H:17]):[C:7]([H:18]):[C:8]([H:19]):[C:9]:1[C:10]([C:11](=[O:12])[O:13][H:20])([H:21])[H:22])([H:23])[H:24].[H][O:14][H]>>[H]O[C:2]([C:3]([C:4]1:[C:5]([H:16]):[C:6]([H:17]):[C:7]([H:18]):[C:8]([H:19]):[C:9]:1[C:10]([C:11](=[O:12])[O:13][H:20])([H:21])[H:22])([H:23])[H:24])=[O:14]
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-R6584
[N:1]#[C:2][C:3]([C:4]1:[C:5]([H:16]):[C:6]([H:17]):[C:7]([H:18]):[C:8]([H:19]):[C:9]:1[C:10]([C:11](=[O:12])[O:13][H:20])([H:21])[H:22])([H:23])[H:24].[H][O:14][H].[H][O:15][H:27]>>[C:2]([C:3]([C:4]1:[C:5]([H:16]):[C:6]([H:17]):[C:7]([H:18]):[C:8]([H:19]):[C:9]:1[C:10]([C:11](=[O:12])[O:13][H:20])([H:21])[H:22])([H:23])[H:24])(=[O:14])[O:15][H:27].[H][N:1]([H])[H]