SMIRKS
[C:1](=[C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11](=[O:12])[H:23])([H:24])[H:25])([H:26])[H:27])([H:28])[H:29])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])([H:38])[H:39])[H:40])([H:41])[H:42]>>[H]OC(=O)C([H])([H])C([H])([H])C(=O)[C@@:11]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2](=[C:1]([H:41])[H:42])[H:40])([H:38])[H:39])([H:36])[H:37])([H:34])[H:35])([H:32])[H:33])([H:30])[H:31])([H:28])[H:29])([H:26])[H:27])([H:24])[H:25])([O:12][H])[H:23]
Derived Operators
EVODEX.1-F134 - Elemental Balance
| O | 3 |
| C | 4 |
| H | 6 |
EVODEX.1-M25 - Mass Difference
102.03168
EVODEX.1-E778 - Reaction Operator E
[#6:10]-[#6:11](=[#8:12])-[H:23]>>[#6:10]-[#6@@:11](-[#8:12]-[H])(-[#6](-[#6](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])(-[H])-[H])=[#8])-[H:23]
EVODEX.1-C271 - Reaction Operator C
[#6:11]=[#8:12]>>[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#6@@:11]-[#8:12]-[H]
EVODEX.1-N298 - Reaction Operator N
[#6:10]-[#6:11](=[#8:12])-[H:23]>>[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#6@@:11](-[#6:10])(-[#8:12]-[H])-[H:23]
EVODEX.1-Em56 - Reaction Operator Em
[#8:12]=[#6:13]-[#6:14].[H]-[#6:2](=[#8:1])-[#6:3]>>[H]-[#8:12]-[#6:13](-[#6:2](=[#8:1])-[#6:3])-[#6:14]
EVODEX.1-Nm71 - Reaction Operator Nm
[#8:12]=[#6:13]-[#6:14].[H]-[#6:2](=[#8:1])-[#6:3]>>[H]-[#8:12]-[#6:13](-[#6:2](=[#8:1])-[#6:3])-[#6:14]
Source Full Reactions
EVODEX.1-R1918
[C:1](=[C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11](=[O:12])[H:23])([H:24])[H:25])([H:26])[H:27])([H:28])[H:29])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])([H:38])[H:39])[H:40])([H:41])[H:42].[H][O:22][C:20]([C:18]([C:17]([C:16]([C:14](=[O:13])[O:15][H:43])([H:47])[H:48])([H:45])[H:46])=[O:19])=[O:21]>>[C:20](=[O:21])=[O:22].[H][O:12][C@:11]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2](=[C:1]([H:41])[H:42])[H:40])([H:38])[H:39])([H:36])[H:37])([H:34])[H:35])([H:32])[H:33])([H:30])[H:31])([H:28])[H:29])([H:26])[H:27])([H:24])[H:25])([C:18]([C:17]([C:16]([C:14](=[O:13])[O:15][H:43])([H:47])[H:48])([H:45])[H:46])=[O:19])[H:23]