SMIRKS
[H]C([H])([H])O[C:19]([C:18]([C:17]([C:16]([C:15]([C:14]([C:13]([C:12]([C:11](=[C:10]([C:9]([C@@:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:57])([H:58])[H:59])([H:55])[H:56])([H:53])[H:54])([H:51])[H:52])([H:49])[H:50])([H:47])[H:48])([O:8][H:24])[H:46])([H:44])[H:45])[H:43])[H:42])([H:40])[H:41])([H:38])[H:39])([H:36])[H:37])([H:34])[H:35])([H:32])[H:33])([H:30])[H:31])([H:28])[H:29])=[O:20].[H][O:23][H:60]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C@@:7]([O:8][H:24])([C:9]([C:10](=[C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([C:17]([C:18]([C:19](=[O:20])[O:23][H:60])([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]
Derived Operators
EVODEX.1-F466 - Elemental Balance
| C | -1 |
| O | -1 |
| H | -4 |
EVODEX.1-M447 - Mass Difference
-32.02622
EVODEX.1-E1277 - Reaction Operator E
[#6:39](-[#6@@:31])(=[#8:40])-[#8]-[#6](-[H])(-[H])-[H].[#8:43](-[H:85])-[H]>>[#6:39](-[#6@@:31])(=[#8:40])-[#8:43]-[H:85]
EVODEX.1-C37 - Reaction Operator C
[#6:19]-[#8:20]-[#6@@:21].[H]-[#8:35]>>[#6:19]-[#8:35].[H]-[#8:20]-[#6:21]
EVODEX.1-N609 - Reaction Operator N
[H]-[#6](-[H])(-[H])-[#8]-[#6:19](-[#6:18])=[#8:20].[H]-[#8:23]-[H:60]>>[#6:18]-[#6:19](=[#8:20])-[#8:23]-[H:60]
EVODEX.1-Em30 - Reaction Operator Em
[#6]-[#8]-[#6:3](=[#8:2])-[#6:4].[H]-[#8:1]>>[#8:1]-[#6:3](=[#8:2])-[#6:4]
EVODEX.1-Nm30 - Reaction Operator Nm
[#6]-[#8]-[#6:3](=[#8:2])-[#6:4].[H]-[#8:1]>>[#8:1]-[#6:3](=[#8:2])-[#6:4]
Source Full Reactions
EVODEX.1-R4866
[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C@@:7]([O:8][H:24])([C:9]([C:10](=[C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([C:17]([C:18]([C:19](=[O:20])[O:21][C:22]([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:54])([H:55])[H:56])([H:57])([H:58])[H:59].[H][O:23][H:60]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C@@:7]([O:8][H:24])([C:9]([C:10](=[C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([C:17]([C:18]([C:19](=[O:20])[O:23][H:60])([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][O:21][C:22]([H:25])([H:26])[H:27]