SMIRKS
[H]N(C([H])([H])[H])[C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:26])([H:27])[H:28])([H:24])[H:25])([H:22])[H:23])([H:20])[H:21])([H:18])[H:19])([H:16])[H:17])=[O:8].[H][O:11][H:29]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7](=[O:8])[O:11][H:29])([H:16])[H:17])([H:18])[H:19])([H:20])[H:21])([H:22])[H:23])([H:24])[H:25])([H:26])([H:27])[H:28]
Derived Operators
EVODEX.1-F248 - Elemental Balance
| C | -1 |
| N | -1 |
| H | -5 |
EVODEX.1-M303 - Mass Difference
-31.04225
EVODEX.1-E972 - Reaction Operator E
[#6:2]-[#6:3](=[#8:4])-[#7](-[#6](-[H])(-[H])-[H])-[H].[#8:7](-[H:17])-[H]>>[#6:2]-[#6:3](=[#8:4])-[#8:7]-[H:17]
EVODEX.1-C620 - Reaction Operator C
[H]-[#7](-[#6](-[H])(-[H])-[H])-[#6:3].[H]-[#8:7]>>[#6:3]-[#8:7]
EVODEX.1-N775 - Reaction Operator N
[H]-[#7](-[#6](-[H])(-[H])-[H])-[#6:3](-[#6:2])=[#8:4].[H]-[#8:7]-[H:17]>>[#6:2]-[#6:3](=[#8:4])-[#8:7]-[H:17]
EVODEX.1-Em2 - Reaction Operator Em
[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]
EVODEX.1-Nm2 - Reaction Operator Nm
[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]
Source Full Reactions
EVODEX.1-R6370
[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7](=[O:8])[N:9]([C:10]([H:12])([H:13])[H:14])[H:15])([H:16])[H:17])([H:18])[H:19])([H:20])[H:21])([H:22])[H:23])([H:24])[H:25])([H:26])([H:27])[H:28].[H][O:11][H:29]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7](=[O:8])[O:11][H:29])([H:16])[H:17])([H:18])[H:19])([H:20])[H:21])([H:22])[H:23])([H:24])[H:25])([H:26])([H:27])[H:28].[H][N:9]([C:10]([H:12])([H:13])[H:14])[H:15]