SMIRKS
[H]OC([H])([H])C([H])([H])N([H])[C:20]([C:19]([C:18]([C:17]([C:16](=[C:15]([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:61])([H:62])[H:63])([H:59])[H:60])([H:57])[H:58])([H:55])[H:56])([H:53])[H:54])[H:52])[H:51])([H:49])[H:50])([H:47])[H:48])[H:46])[H:45])[H:44])[H:43])([H:41])[H:42])[H:40])[H:39])([H:37])[H:38])([H:35])[H:36])([H:33])[H:34])=[O:21]>>[H]O[C:20]([C:19]([C:18]([C:17]([C:16](=[C:15]([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:61])([H:62])[H:63])([H:59])[H:60])([H:57])[H:58])([H:55])[H:56])([H:53])[H:54])[H:52])[H:51])([H:49])[H:50])([H:47])[H:48])[H:46])[H:45])[H:44])[H:43])([H:41])[H:42])[H:40])[H:39])([H:37])[H:38])([H:35])[H:36])([H:33])[H:34])=[O:21]
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-R6436
[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]([C:15](=[C:16]([C:17]([C:18]([C:19]([C:20](=[O:21])[N:22]([C:23]([C:24]([O:25][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:54])([H:55])[H:56])([H:57])[H:58])([H:59])[H:60])([H:61])([H:62])[H:63].[H][O:26][H:64]>>[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]([C:15](=[C:16]([C:17]([C:18]([C:19]([C:20](=[O:21])[O:26][H:64])([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:54])([H:55])[H:56])([H:57])[H:58])([H:59])[H:60])([H:61])([H:62])[H:63].[H][N:22]([C:23]([C:24]([O:25][H:27])([H:28])[H:29])([H:30])[H:31])[H:32]