SMIRKS
[H]C([H])([H])C(=O)O[C@:11]([C@@:6]([C:5]([O:4][C:2]([C:1]([H:48])([H:49])[H:50])=[O:3])([H:46])[H:47])([O:7][C:8]([C:9]([H:29])([H:30])[H:31])=[O:10])[H:45])([C@:16]([O:17][C:18]([C:19]([H:35])([H:36])[H:37])=[O:20])([C@:21]([C:22](=[O:23])[H:38])([O:24][C:25]([C:26]([H:39])([H:40])[H:41])=[O:27])[H:42])[H:43])[H:44].[H][O:28][H:51]>>[C:1]([C:2](=[O:3])[O:4][C:5]([C@@:6]([O:7][C:8]([C:9]([H:29])([H:30])[H:31])=[O:10])([C@:11]([C@:16]([O:17][C:18]([C:19]([H:35])([H:36])[H:37])=[O:20])([C@:21]([C:22](=[O:23])[H:38])([O:24][C:25]([C:26]([H:39])([H:40])[H:41])=[O:27])[H:42])[H:43])([O:28][H:51])[H:44])[H:45])([H:46])[H:47])([H:48])([H:49])[H:50]
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-R4935
[C:1]([C:2](=[O:3])[O:4][C:5]([C@@:6]([O:7][C:8]([C:9]([H:29])([H:30])[H:31])=[O:10])([C@@:11]([O:12][C:13]([C:14]([H:32])([H:33])[H:34])=[O:15])([C@:16]([O:17][C:18]([C:19]([H:35])([H:36])[H:37])=[O:20])([C@:21]([C:22](=[O:23])[H:38])([O:24][C:25]([C:26]([H:39])([H:40])[H:41])=[O:27])[H:42])[H:43])[H:44])[H:45])([H:46])[H:47])([H:48])([H:49])[H:50].[H][O:28][H:51]>>[C:1]([C:2](=[O:3])[O:4][C:5]([C@@:6]([O:7][C:8]([C:9]([H:29])([H:30])[H:31])=[O:10])([C@:11]([C@:16]([O:17][C:18]([C:19]([H:35])([H:36])[H:37])=[O:20])([C@:21]([C:22](=[O:23])[H:38])([O:24][C:25]([C:26]([H:39])([H:40])[H:41])=[O:27])[H:42])[H:43])([O:28][H:51])[H:44])[H:45])([H:46])[H:47])([H:48])([H:49])[H:50].[H][O:12][C:13]([C:14]([H:32])([H:33])[H:34])=[O:15]