SMIRKS
[H]N(C([H])([H])[H])[C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:29])([H:30])[H:31])([H:27])[H:28])([H:25])[H:26])([H:23])[H:24])([H:21])[H:22])([H:19])[H:20])([H:17])[H:18])=[O:9]>>[H]O[C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:29])([H:30])[H:31])([H:27])[H:28])([H:25])[H:26])([H:23])[H:24])([H:21])[H:22])([H:19])[H:20])([H:17])[H:18])=[O:9]
Derived Operators
EVODEX.1-F249 - Elemental Balance
| O | 1 |
| C | -1 |
| N | -1 |
| H | -3 |
EVODEX.1-M304 - Mass Difference
-13.03169
EVODEX.1-E973 - Reaction Operator E
[#6:2]-[#6:3](=[#8:4])-[#7](-[#6](-[H])(-[H])-[H])-[H]>>[#6:2]-[#6:3](=[#8:4])-[#8]-[H]
EVODEX.1-N776 - Reaction Operator N
[H]-[#7](-[#6](-[H])(-[H])-[H])-[#6:3](-[#6:2])=[#8:4]>>[H]-[#8]-[#6:3](-[#6:2])=[#8:4]
EVODEX.1-Em3 - Reaction Operator Em
[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]>>[H]-[#8]-[#6:42](-[#6:40])=[#8:43]
EVODEX.1-Nm3 - Reaction Operator Nm
[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]>>[H]-[#8]-[#6:42](-[#6:40])=[#8:43]
Source Full Reactions
EVODEX.1-R6371
[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8](=[O:9])[N:10]([C:11]([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:29])([H:30])[H:31].[H][O:12][H:32]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8](=[O:9])[O:12][H:32])([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:29])([H:30])[H:31].[H][N:10]([C:11]([H:13])([H:14])[H:15])[H:16]