SMIRKS
[H]N([H])[C@@:6]([H])([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])[C:7]([H:12])([H:13])[H:14].[O:10]=[O:11]>>O=[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])[C:7]([H:12])([H:13])[H:14].[H][O:10][O:11][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-R930
[H][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])([C:7]([H:12])([H:13])[H:14])[N:8]([H:15])[H:16].[O:10]=[O:11].[H][O:9][H]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([H:12])([H:13])[H:14])=[O:9])([H:18])[H:19])([H:20])[H:21])([H:22])[H:23])([H:24])[H:25])([H:26])([H:27])[H:28].[H][N:8]([H:15])[H:16].[H][O:10][O:11][H]