SMIRKS
[H]O[C@@]([H])(C([H])([H])[H])[C:4](=[O:5])[C:6]1:[C:7]([H:13]):[C:8]([H:14]):[C:9]([H:15]):[C:10]([H:16]):[C:11]:1[H:17]>>[H][C:4](=[O:5])[C:6]1:[C:7]([H:13]):[C:8]([H:14]):[C:9]([H:15]):[C:10]([H:16]):[C:11]:1[H:17]
Derived Operators
EVODEX.1-F78 - Elemental Balance
| C | -2 |
| O | -1 |
| H | -4 |
EVODEX.1-M185 - Mass Difference
-44.02622
EVODEX.1-E149 - Reaction Operator E
[#6:15]-[#6@@:17](-[#8:18]-[H])(-[#6:19](=[#8:20])-[#6:21])-[H:36]>>[#6:15]-[#6:17](=[#8:18])-[H:36].[#6:19](=[#8:20])(-[#6:21])-[H]
EVODEX.1-C1023 - Reaction Operator C
[H]-[#8]-[#6@@](-[H])(-[#6](-[H])(-[H])-[H])-[#6:4]>>[H]-[#6:4]
EVODEX.1-N915 - Reaction Operator N
[H]-[#8]-[#6@@](-[H])(-[#6](-[H])(-[H])-[H])-[#6:4](=[#8:5])-[#6:6]>>[H]-[#6:4](=[#8:5])-[#6:6]
EVODEX.1-Em724 - Reaction Operator Em
[#8]-[#6](-[H])(-[#6])-[#6:4](=[#8:5])-[#6:6]>>[H]-[#6:4](=[#8:5])-[#6:6]
EVODEX.1-Nm653 - Reaction Operator Nm
[#8]-[#6](-[H])(-[#6])-[#6:4](=[#8:5])-[#6:6]>>[H]-[#6:4](=[#8:5])-[#6:6]
Source Full Reactions
EVODEX.1-R6791
[H][O:3][C@@:2]([C:1]([H:35])([H:36])[H:37])([C:4](=[O:5])[C:6]1:[C:7]([H:29]):[C:8]([H:30]):[C:9]([H:31]):[C:10]([H:32]):[C:11]:1[H:33])[H:34].[H][O:21][C@@:20]([C:13](=[O:12])[C:14]1:[C:15]([H:38]):[C:16]([H:39]):[C:17]([H:40]):[C:18]([H:41]):[C:19]:1[H:42])([C:22]1:[C:23]([H:44]):[C:24]([H:45]):[C:25]([H:46]):[C:26]([H:47]):[C:27]:1[H:48])[H:49]>>[C:1]([C:2](=[O:3])[H:34])([H:35])([H:36])[H:37].[C:20](=[O:21])([C:22]1:[C:23]([H:44]):[C:24]([H:45]):[C:25]([H:46]):[C:26]([H:47]):[C:27]:1[H:48])[H:49].[H][C:4](=[O:5])[C:6]1:[C:7]([H:29]):[C:8]([H:30]):[C:9]([H:31]):[C:10]([H:32]):[C:11]:1[H:33].[H][C:13](=[O:12])[C:14]1:[C:15]([H:38]):[C:16]([H:39]):[C:17]([H:40]):[C:18]([H:41]):[C:19]:1[H:42]
EVODEX.1-R6782
[H][O:3][C@@:2]([C:1]([H:19])([H:20])[H:21])([C:4](=[O:5])[C:6]1:[C:7]([H:13]):[C:8]([H:14]):[C:9]([H:15]):[C:10]([H:16]):[C:11]:1[H:17])[H:18]>>[C:1]([C:2](=[O:3])[H:18])([H:19])([H:20])[H:21].[H][C:4](=[O:5])[C:6]1:[C:7]([H:13]):[C:8]([H:14]):[C:9]([H:15]):[C:10]([H:16]):[C:11]:1[H:17]