SMIRKS
[H]C([H])([H])C(=O)O[C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:31])([H:32])[H:33])([H:29])[H:30])([H:27])[H:28])([H:25])[H:26])([H:23])[H:24])([H:21])[H:22])([C:8]([H:14])([H:15])[H:16])[H:20].[H][O:13][H:34]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([H:14])([H:15])[H:16])([O:13][H:34])[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:32])[H:33]
Derived Operators
EVODEX.1-F66 - Elemental Balance
| C | -2 |
| O | -2 |
| H | -4 |
EVODEX.1-M183 - Mass Difference
-60.02112
EVODEX.1-E612 - Reaction Operator E
[#8](-[#6@@:19](-[#6@:15])(-[#6@:18])-[H:46])-[#6](-[#6](-[H])(-[H])-[H])=[#8].[#8:27](-[H:54])-[H]>>[#8:27](-[#6@@:19](-[#6@:15])(-[#6@:18])-[H:46])-[H:54]
EVODEX.1-C171 - Reaction Operator C
[H]-[#6](-[H])(-[H])-[#6](=[#8])-[#8]-[#6@:11].[H]-[#8:28]>>[#8:28]-[#6@:11]
EVODEX.1-N1116 - Reaction Operator N
[H]-[#6](-[H])(-[H])-[#6](=[#8])-[#8]-[#6@:11](-[#6@@:6])(-[#6@:16])-[H:44].[H]-[#8:28]-[H:51]>>[#8:28](-[#6@:11](-[#6@@:6])(-[#6@:16])-[H:44])-[H:51]
EVODEX.1-Em68 - Reaction Operator Em
[#6]-[#8]-[#6:19](-[#6:10])-[#6:17].[H]-[#8:38]>>[#6:10]-[#6:19](-[#6:17])-[#8:38]
EVODEX.1-Nm82 - Reaction Operator Nm
[#6]-[#8]-[#6:19](-[#6:10])-[#6:17].[H]-[#8:38]>>[#6:10]-[#6:19](-[#6:17])-[#8:38]
Source Full Reactions
EVODEX.1-R4725
[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([H:14])([H:15])[H:16])([O:9][C:10]([C:11]([H:17])([H:18])[H:19])=[O:12])[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:32])[H:33].[H][O:13][H:34]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([H:14])([H:15])[H:16])([O:13][H:34])[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:32])[H:33].[H][O:9][C:10]([C:11]([H:17])([H:18])[H:19])=[O:12]