SMIRKS
[H]C([H])=C([H])O[C:4]([C:5]([H:17])([H:18])[H:19])=[O:6].[H][O:10][C:9]([C:8]#[N:7])([C:11]1:[C:12]([H:24]):[C:13]([H:25]):[C:14]([H:26]):[C:15]([H:27]):[C:16]:1[H:28])[H:29]>>[C:4]([C:5]([H:17])([H:18])[H:19])(=[O:6])[O:10][C:9]([C:8]#[N:7])([C:11]1:[C:12]([H:24]):[C:13]([H:25]):[C:14]([H:26]):[C:15]([H:27]):[C:16]:1[H:28])[H:29]
Derived Operators
EVODEX.1-F166 - Elemental Balance
| O | -1 |
| C | -2 |
| H | -4 |
EVODEX.1-M563 - Mass Difference
-44.02622
EVODEX.1-E646 - Reaction Operator E
[#6](=[#6](-[#8]-[#6:4](=[#8:5])-[#6:6])-[H])(-[H])-[H].[#8:8](-[#6:9])-[H]>>[#6:4](=[#8:5])(-[#6:6])-[#8:8]-[#6:9]
EVODEX.1-C510 - Reaction Operator C
[H]-[#6](-[H])=[#6](-[H])-[#8]-[#6:4].[H]-[#8:15]>>[#6:4]-[#8:15]
EVODEX.1-N639 - Reaction Operator N
[H]-[#6](-[H])=[#6](-[H])-[#8]-[#6:4](=[#8:5])-[#6:6].[H]-[#8:15]-[#6:16]>>[#6:4](=[#8:5])(-[#6:6])-[#8:15]-[#6:16]
EVODEX.1-Em605 - Reaction Operator Em
[#6]-[#8]-[#6:4](=[#8:5])-[#6:6].[H]-[#8:15]-[#6:16]>>[#6:4](=[#8:5])(-[#6:6])-[#8:15]-[#6:16]
EVODEX.1-Nm129 - Reaction Operator Nm
[#6]-[#8]-[#6:4](=[#8:5])-[#6:6].[H]-[#8:15]-[#6:16]>>[#6:4](=[#8:5])(-[#6:6])-[#8:15]-[#6:16]
Source Full Reactions
EVODEX.1-R4857
[C:1](=[C:2]([O:3][C:4]([C:5]([H:17])([H:18])[H:19])=[O:6])[H:20])([H:21])[H:22].[H][O:10][C:9]([C:8]#[N:7])([C:11]1:[C:12]([H:24]):[C:13]([H:25]):[C:14]([H:26]):[C:15]([H:27]):[C:16]:1[H:28])[H:29]>>[C:4]([C:5]([H:17])([H:18])[H:19])(=[O:6])[O:10][C:9]([C:8]#[N:7])([C:11]1:[C:12]([H:24]):[C:13]([H:25]):[C:14]([H:26]):[C:15]([H:27]):[C:16]:1[H:28])[H:29].[H][O:3][C:2](=[C:1]([H:21])[H:22])[H:20]