SMIRKS
[H][O:4][C:2](C#N)([C:1]([H:11])([H:12])[H:13])[C:3]([H:7])([H:8])[H:9]>>[C:1]([C:2]([C:3]([H:7])([H:8])[H:9])=[O:4])([H:11])([H:12])[H:13]
Derived Operators
EVODEX.1-F295 - Elemental Balance
| C | -1 |
| N | -1 |
| H | -1 |
EVODEX.1-M145 - Mass Difference
-27.01093
EVODEX.1-E1062 - Reaction Operator E
[#6:5]-[#6@:6](-[#8:7]-[H])(-[#6]#[#7])-[#6:10]>>[#6:5]-[#6:6](=[#8:7])-[#6:10]
EVODEX.1-N924 - Reaction Operator N
[H]-[#8:7]-[#6@:6](-[#6]#[#7])(-[#6:5])-[#6:10]>>[#6:5]-[#6:6](=[#8:7])-[#6:10]
EVODEX.1-Em733 - Reaction Operator Em
[H]-[#8:7]-[#6:6](-[#6]#[#7])(-[#6:5])-[#6:10]>>[#6:5]-[#6:6](=[#8:7])-[#6:10]
EVODEX.1-Nm662 - Reaction Operator Nm
[H]-[#8:7]-[#6:6](-[#6]#[#7])(-[#6:5])-[#6:10]>>[#6:5]-[#6:6](=[#8:7])-[#6:10]
Source Full Reactions
EVODEX.1-R6935
[C:1]([C:2](=[O:3])[Si:4]([C:5]([H:14])([H:15])[H:16])([C:6]([H:17])([H:18])[H:19])[C:7]([H:20])([H:21])[H:22])([H:23])([H:24])[H:25].[H][O:11][C:9]([C:8]([H:30])([H:31])[H:32])([C:10]([H:26])([H:27])[H:28])[C:12]#[N:13]>>[H][O:3][C:2]([C:1]([H:23])([H:24])[H:25])([Si:4]([C:5]([H:14])([H:15])[H:16])([C:6]([H:17])([H:18])[H:19])[C:7]([H:20])([H:21])[H:22])[C:12]#[N:13].[C:8]([C:9]([C:10]([H:26])([H:27])[H:28])=[O:11])([H:30])([H:31])[H:32]
EVODEX.1-R6934
[H][O:4][C:2]([C:1]([H:11])([H:12])[H:13])([C:3]([H:7])([H:8])[H:9])[C:5]#[N:6]>>[C:1]([C:2]([C:3]([H:7])([H:8])[H:9])=[O:4])([H:11])([H:12])[H:13].[H][C:5]#[N:6]
EVODEX.1-R6936
[C:1]([C:2](=[O:3])[C:4]([C:5]([H:14])([H:15])[H:16])([C:6]([H:17])([H:18])[H:19])[C:7]([H:20])([H:21])[H:22])([H:23])([H:24])[H:25].[H][O:11][C:9]([C:8]([H:30])([H:31])[H:32])([C:10]([H:26])([H:27])[H:28])[C:12]#[N:13]>>[H][O:3][C:2]([C:1]([H:23])([H:24])[H:25])([C:4]([C:5]([H:14])([H:15])[H:16])([C:6]([H:17])([H:18])[H:19])[C:7]([H:20])([H:21])[H:22])[C:12]#[N:13].[C:8]([C:9]([C:10]([H:26])([H:27])[H:28])=[O:11])([H:30])([H:31])[H:32]