SMIRKS
[H][C:8]1([H:42])[C@@:6]2([O:7][H:41])[C:2](=[C:1]([H:59])[H:60])[C:3]([H:37])([H:38])[C@:4]3([C:5]2([H:39])[H:40])[C@@:10]([H:46])([C:9]1([H:44])[H:45])[C@@:11]12[C:12]([H:47])([H:48])[C:13]([H:49])([H:50])[C:14]([H:51])([H:52])[C@@:15]([C:16]([H:53])([H:54])[H:55])([C:17](=[O:18])[O:19]1)[C@@:20]2([H:56])[C@@:21]3([C:22](=[O:23])[O:24][H:57])[H:58].[H]OC(=O)C([H])([H])C([H])([H])C(=O)[C:32](=[O:33])[O:34][H].O=[O:35]>>[C:32](=[O:33])=[O:34].[H][O:35][C:8]1([H:42])[C@@:6]2([O:7][H:41])[C:2](=[C:1]([H:59])[H:60])[C:3]([H:37])([H:38])[C@:4]3([C:5]2([H:39])[H:40])[C@@:10]([H:46])([C:9]1([H:44])[H:45])[C@@:11]12[C:12]([H:47])([H:48])[C:13]([H:49])([H:50])[C:14]([H:51])([H:52])[C@@:15]([C:16]([H:53])([H:54])[H:55])([C:17](=[O:18])[O:19]1)[C@@:20]2([H:56])[C@@:21]3([C:22](=[O:23])[O:24][H:57])[H:58]
Derived Operators
EVODEX.1-F133 - Elemental Balance
| O | -4 |
| C | -4 |
| H | -6 |
EVODEX.1-M44 - Mass Difference
-118.02658
EVODEX.1-E776 - Reaction Operator E
[#6:12]-[#6:13](-[H:33])(-[H])-[#6@@:14].[#8]=[#6](-[#8]-[H])-[#6](-[#6](-[#6](=[#8])-[#6:8](=[#8:9])-[#8:10]-[H])(-[H])-[H])(-[H])-[H].[#8]=[#8:32]>>[#6:8](=[#8:9])=[#8:10].[#6:12]-[#6@:13](-[#8:32]-[H])(-[H:33])-[#6@@:14]
EVODEX.1-C53 - Reaction Operator C
[H]-[#6:4].[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#6:17]-[#8:19]-[H].[#8]=[#8:20]>>[#6:17]=[#8:19].[H]-[#8:20]-[#6:4]
EVODEX.1-N152 - Reaction Operator N
[H]-[#6:95](-[#6@:94])(-[#6:96])-[H:227].[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#6:120](=[#8:121])-[#8:122]-[H].[#8]=[#8:123]>>[#6:120](=[#8:121])=[#8:122].[H]-[#8:123]-[#6@:95](-[#6@:94])(-[#6:96])-[H:227]
EVODEX.1-Em234 - Reaction Operator Em
[H]-[#6:95](-[#6:94])-[#6:96].[#6]-[#6](=[#8])-[#6:120](=[#8:121])-[#8:122]-[H].[#8]=[#8:123]>>[#6:120](=[#8:121])=[#8:122].[H]-[#8:123]-[#6:95](-[#6:94])-[#6:96]
EVODEX.1-Cm54 - Reaction Operator Cm
[H]-[#6:5].[H]-[#8:23]-[#6:21]-[#6:19].[#8:24]=[#8:25]>>[#6:21]=[#8:23].[H]-[#8:24]-[#6:5].[H]-[#8:25]-[#6:19]
EVODEX.1-Nm232 - Reaction Operator Nm
[H]-[#6:95](-[#6:94])-[#6:96].[#6]-[#6](=[#8])-[#6:120](=[#8:121])-[#8:122]-[H].[#8]=[#8:123]>>[#6:120](=[#8:121])=[#8:122].[H]-[#8:123]-[#6:95](-[#6:94])-[#6:96]
Source Full Reactions
EVODEX.1-R348
[H][C:8]1([H:42])[C@@:6]2([O:7][H:41])[C:2](=[C:1]([H:59])[H:60])[C:3]([H:37])([H:38])[C@:4]3([C:5]2([H:39])[H:40])[C@@:10]([H:46])([C:9]1([H:44])[H:45])[C@@:11]12[C:12]([H:47])([H:48])[C:13]([H:49])([H:50])[C:14]([H:51])([H:52])[C@@:15]([C:16]([H:53])([H:54])[H:55])([C:17](=[O:18])[O:19]1)[C@@:20]2([H:56])[C@@:21]3([C:22](=[O:23])[O:24][H:57])[H:58].[H][O:34][C:32]([C:30]([C:29]([C:28]([C:26](=[O:25])[O:27][H:61])([H:65])[H:66])([H:63])[H:64])=[O:31])=[O:33].[O:35]=[O:36]>>[C:32](=[O:33])=[O:34].[H][O:35][C:8]1([H:42])[C@@:6]2([O:7][H:41])[C:2](=[C:1]([H:59])[H:60])[C:3]([H:37])([H:38])[C@:4]3([C:5]2([H:39])[H:40])[C@@:10]([H:46])([C:9]1([H:44])[H:45])[C@@:11]12[C:12]([H:47])([H:48])[C:13]([H:49])([H:50])[C:14]([H:51])([H:52])[C@@:15]([C:16]([H:53])([H:54])[H:55])([C:17](=[O:18])[O:19]1)[C@@:20]2([H:56])[C@@:21]3([C:22](=[O:23])[O:24][H:57])[H:58].[H][O:36][C:30]([C:29]([C:28]([C:26](=[O:25])[O:27][H:61])([H:65])[H:66])([H:63])[H:64])=[O:31]