SMIRKS
[H]N([H])[C:4]([H])([C:3]([C:2]([C:1]([H:20])([H:21])[H:22])([H:18])[H:19])([H:16])[H:17])[C:5]([H:10])([H:11])[H:12].[O:8]=[O:9]>>O=[C:4]([C:3]([C:2]([C:1]([H:20])([H:21])[H:22])([H:18])[H:19])([H:16])[H:17])[C:5]([H:10])([H:11])[H:12].[H][O:8][O:9][H]
Derived Operators
EVODEX.1-F74 - Elemental Balance
| O | 1 |
| N | -1 |
| H | -1 |
EVODEX.1-M17 - Mass Difference
0.9839699999999996
EVODEX.1-E640 - Reaction Operator E
[#7](-[#6:2](-[#6:3])(-[#6:9])-[H])(-[H])-[H].[#8:16]=[#8:17]>>[#6:2](-[#6:3])(-[#6:9])=[#8].[#8:16](-[#8:17]-[H])-[H]
EVODEX.1-C61 - Reaction Operator C
[H]-[#7](-[H])-[#6:7]-[H].[#8:11]=[#8:12]>>[#8]=[#6:7].[H]-[#8:11]-[#8:12]-[H]
EVODEX.1-N44 - Reaction Operator N
[H]-[#7](-[H])-[#6:2](-[H])(-[#6:1])-[#6:4].[#8:12]=[#8:13]>>[#8]=[#6:2](-[#6:1])-[#6:4].[H]-[#8:12]-[#8:13]-[H]
EVODEX.1-Em357 - Reaction Operator Em
[H]-[#7](-[H])-[#6:2](-[H])(-[#6:1])-[#6:4].[#8:12]=[#8:13]>>[#8]=[#6:2](-[#6:1])-[#6:4].[H]-[#8:12]-[#8:13]-[H]
EVODEX.1-Cm98 - Reaction Operator Cm
[#7]-[#6:7]-[H].[#8:11]=[#8:12]>>[#8]=[#6:7].[H]-[#8:11]-[#8:12]-[H]
EVODEX.1-Nm117 - Reaction Operator Nm
[H]-[#7](-[H])-[#6:2](-[H])(-[#6:1])-[#6:4].[#8:12]=[#8:13]>>[#8]=[#6:2](-[#6:1])-[#6:4].[H]-[#8:12]-[#8:13]-[H]
Source Full Reactions
EVODEX.1-R939
[H][C:4]([C:3]([C:2]([C:1]([H:20])([H:21])[H:22])([H:18])[H:19])([H:16])[H:17])([C:5]([H:10])([H:11])[H:12])[N:6]([H:13])[H:14].[O:8]=[O:9].[H][O:7][H]>>[C:1]([C:2]([C:3]([C:4]([C:5]([H:10])([H:11])[H:12])=[O:7])([H:16])[H:17])([H:18])[H:19])([H:20])([H:21])[H:22].[H][N:6]([H:13])[H:14].[H][O:8][O:9][H]