SMIRKS
[H][C:13]1([H:52])[C:12]([H:50])([H:51])[C@@:10]2([C:11]([H:47])([H:48])[H:49])[C@@:9]3([H:46])[C@@:4]4([C:3]([H:37])([H:38])[C:2](=[C:1]([H:63])[H:64])[C@@:6]([H:41])([C:5]4([H:39])[H:40])[C:7]([H:42])([H:43])[C:8]3([H:44])[H:45])[C@:21]([C:22](=[O:23])[O:24][H:61])([H:62])[C@:20]2([H:60])[C@:15]([C:16]([H:56])([H:57])[H:58])([C:17](=[O:18])[O:19][H:59])[C:14]1([H:54])[H:55].[O:35]=[O:36]>>[H][O:36][C@:13]1([H:52])[C:12]([H:50])([H:51])[C@@:10]2([C:11]([H:47])([H:48])[H:49])[C@@:9]3([H:46])[C@@:4]4([C:3]([H:37])([H:38])[C:2](=[C:1]([H:63])[H:64])[C@@:6]([H:41])([C:5]4([H:39])[H:40])[C:7]([H:42])([H:43])[C:8]3([H:44])[H:45])[C@:21]([C:22](=[O:23])[O:24][H:61])([H:62])[C@:20]2([H:60])[C@:15]([C:16]([H:56])([H:57])[H:58])([C:17](=[O:18])[O:19][H:59])[C:14]1([H:54])[H:55].[H]OC(=O)C([H])([H])C([H])([H])C(=O)[O:35][H]
Derived Operators
EVODEX.1-F134 - Elemental Balance
| O | 3 |
| C | 4 |
| H | 6 |
EVODEX.1-M25 - Mass Difference
102.03168
EVODEX.1-E780 - Reaction Operator E
[#6:12]-[#6:13](-[H:33])(-[H])-[#6@@:14].[#8:31]=[#8:32]>>[#6:12]-[#6@:13](-[#8:32]-[H])(-[H:33])-[#6@@:14].[#8]=[#6](-[#8]-[H])-[#6](-[#6](-[#6](=[#8])-[#8:31]-[H])(-[H])-[H])(-[H])-[H]
EVODEX.1-C50 - Reaction Operator C
[H]-[#6:10].[#8:26]=[#8:27]>>[H]-[#8:26]-[#6@@:10].[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8:27]-[H]
EVODEX.1-N148 - Reaction Operator N
[H]-[#6:10](-[#6:9])(-[#6@:11])-[H:41].[#8:26]=[#8:27]>>[H]-[#8:26]-[#6@@:10](-[#6:9])(-[#6@:11])-[H:41].[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8:27]-[H]
EVODEX.1-Em230 - Reaction Operator Em
[H]-[#6:10](-[#6:9])-[#6:11].[#8:26]=[#8:27]>>[H]-[#8:26]-[#6:10](-[#6:9])-[#6:11].[#6]-[#6](=[#8])-[#8:27]-[H]
EVODEX.1-Nm228 - Reaction Operator Nm
[H]-[#6:10](-[#6:9])-[#6:11].[#8:26]=[#8:27]>>[H]-[#8:26]-[#6:10](-[#6:9])-[#6:11].[#6]-[#6](=[#8])-[#8:27]-[H]
Source Full Reactions
EVODEX.1-R347
[H][C:13]1([H:52])[C:12]([H:50])([H:51])[C@@:10]2([C:11]([H:47])([H:48])[H:49])[C@@:9]3([H:46])[C@@:4]4([C:3]([H:37])([H:38])[C:2](=[C:1]([H:63])[H:64])[C@@:6]([H:41])([C:5]4([H:39])[H:40])[C:7]([H:42])([H:43])[C:8]3([H:44])[H:45])[C@:21]([C:22](=[O:23])[O:24][H:61])([H:62])[C@:20]2([H:60])[C@:15]([C:16]([H:56])([H:57])[H:58])([C:17](=[O:18])[O:19][H:59])[C:14]1([H:54])[H:55].[H][O:34][C:32]([C:30]([C:29]([C:28]([C:26](=[O:25])[O:27][H:65])([H:69])[H:70])([H:67])[H:68])=[O:31])=[O:33].[O:35]=[O:36]>>[C:32](=[O:33])=[O:34].[H][O:36][C@:13]1([H:52])[C:12]([H:50])([H:51])[C@@:10]2([C:11]([H:47])([H:48])[H:49])[C@@:9]3([H:46])[C@@:4]4([C:3]([H:37])([H:38])[C:2](=[C:1]([H:63])[H:64])[C@@:6]([H:41])([C:5]4([H:39])[H:40])[C:7]([H:42])([H:43])[C:8]3([H:44])[H:45])[C@:21]([C:22](=[O:23])[O:24][H:61])([H:62])[C@:20]2([H:60])[C@:15]([C:16]([H:56])([H:57])[H:58])([C:17](=[O:18])[O:19][H:59])[C:14]1([H:54])[H:55].[H][O:35][C:30]([C:29]([C:28]([C:26](=[O:25])[O:27][H:65])([H:69])[H:70])([H:67])[H:68])=[O:31]