SMIRKS
[H]N([H])[C:2]1([H])[C:3]([H:14])([H:15])[C:4]([H:16])([H:17])[C:5]([H:18])([H:19])[C:6]([H:20])([H:21])[C:7]([H:22])([H:23])[C:8]([H:24])([H:25])[C:9]1([H:26])[H:27].[H][O:10][H]>>[C:2]1(=[O:10])[C:3]([H:14])([H:15])[C:4]([H:16])([H:17])[C:5]([H:18])([H:19])[C:6]([H:20])([H:21])[C:7]([H:22])([H:23])[C:8]([H:24])([H:25])[C:9]1([H:26])[H:27]
Derived Operators
EVODEX.1-F71 - Elemental Balance
| N | -1 |
| H | -5 |
EVODEX.1-M59 - Mass Difference
-19.04225
EVODEX.1-E619 - Reaction Operator E
[#7](-[#6:2](-[#6:3])(-[#6:9])-[H])(-[H])-[H].[#8:15](-[H])-[H]>>[#6:2](-[#6:3])(-[#6:9])=[#8:15]
EVODEX.1-N34 - Reaction Operator N
[H]-[#7](-[H])-[#6@:2](-[H])(-[#6:1])-[#6:4].[H]-[#8:14]-[H]>>[#6:1]-[#6:2](-[#6:4])=[#8:14]
EVODEX.1-Em358 - Reaction Operator Em
[H]-[#7](-[H])-[#6:2](-[H])(-[#6:1])-[#6:4].[H]-[#8:14]-[H]>>[#6:1]-[#6:2](-[#6:4])=[#8:14]
EVODEX.1-Nm106 - Reaction Operator Nm
[H]-[#7](-[H])-[#6:2](-[H])(-[#6:1])-[#6:4].[H]-[#8:14]-[H]>>[#6:1]-[#6:2](-[#6:4])=[#8:14]
Source Full Reactions
EVODEX.1-R940
[H][C:2]1([N:1]([H:28])[H:29])[C:3]([H:14])([H:15])[C:4]([H:16])([H:17])[C:5]([H:18])([H:19])[C:6]([H:20])([H:21])[C:7]([H:22])([H:23])[C:8]([H:24])([H:25])[C:9]1([H:26])[H:27].[O:11]=[O:12].[H][O:10][H]>>[C:2]1(=[O:10])[C:3]([H:14])([H:15])[C:4]([H:16])([H:17])[C:5]([H:18])([H:19])[C:6]([H:20])([H:21])[C:7]([H:22])([H:23])[C:8]([H:24])([H:25])[C:9]1([H:26])[H:27].[H][N:1]([H:28])[H:29].[H][O:11][O:12][H]