SMIRKS
[H]OC([H])([H])C([H])([H])N([H])[C:14]([C:13]([C:12]([C:11]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:51])([H:52])[H:53])([H:49])[H:50])([H:47])[H:48])([H:45])[H:46])([H:43])[H:44])([H:41])[H:42])([H:39])[H:40])([H:37])[H:38])([H:35])[H:36])([H:33])[H:34])([H:31])[H:32])([H:29])[H:30])([H:27])[H:28])=[O:15]>>[H]O[C:14]([C:13]([C:12]([C:11]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:51])([H:52])[H:53])([H:49])[H:50])([H:47])[H:48])([H:45])[H:46])([H:43])[H:44])([H:41])[H:42])([H:39])[H:40])([H:37])[H:38])([H:35])[H:36])([H:33])[H:34])([H:31])[H:32])([H:29])[H:30])([H:27])[H:28])=[O:15]
Derived Operators
EVODEX.1-F139 - Elemental Balance
| C | -2 |
| N | -1 |
| H | -5 |
EVODEX.1-M246 - Mass Difference
-43.04225
EVODEX.1-E794 - Reaction Operator E
[#6:16]-[#6:17](=[#8:18])-[#7](-[#6](-[#6](-[#8]-[H])(-[H])-[H])(-[H])-[H])-[H]>>[#6:16]-[#6:17](=[#8:18])-[#8]-[H]
EVODEX.1-C703 - Reaction Operator C
[H]-[#8]-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#7](-[H])-[#6:17]>>[H]-[#8]-[#6:17]
EVODEX.1-N868 - Reaction Operator N
[H]-[#8]-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#7](-[H])-[#6:17](-[#6:16])=[#8:18]>>[H]-[#8]-[#6:17](-[#6:16])=[#8:18]
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-R6439
[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([C:14](=[O:15])[N:16]([C:17]([C:18]([O:19][H:21])([H:22])[H:23])([H:24])[H:25])[H:26])([H:27])[H:28])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])[H:36])([H:37])[H:38])([H:39])[H:40])([H:41])[H:42])([H:43])[H:44])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])([H:51])([H:52])[H:53].[H][O:20][H:54]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([C:14](=[O:15])[O:20][H:54])([H:27])[H:28])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])[H:36])([H:37])[H:38])([H:39])[H:40])([H:41])[H:42])([H:43])[H:44])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])([H:51])([H:52])[H:53].[H][N:16]([C:17]([C:18]([O:19][H:21])([H:22])[H:23])([H:24])[H:25])[H:26]