SMIRKS
[H]C([H])([H])C([H])([H])[O:3][C:4](=[O:5])[C@:6]1([H:16])[C@:7]([C:8](=[C:9]([C:10]([H:17])([H:18])[H:19])[C:11]([H:20])([H:21])[H:22])[H:23])([H:24])[C:12]1([C:13]([H:25])([H:26])[H:27])[C:14]([H:28])([H:29])[H:30]>>[H][O:3][C:4](=[O:5])[C@:6]1([H:16])[C@:7]([C:8](=[C:9]([C:10]([H:17])([H:18])[H:19])[C:11]([H:20])([H:21])[H:22])[H:23])([H:24])[C:12]1([C:13]([H:25])([H:26])[H:27])[C:14]([H:28])([H:29])[H:30]
Derived Operators
EVODEX.1-F95 - Elemental Balance
| C | -2 |
| H | -4 |
EVODEX.1-M108 - Mass Difference
-28.03132
EVODEX.1-E679 - Reaction Operator E
[#6](-[#6](-[#8:3]-[#6:4])(-[H])-[H])(-[H])(-[H])-[H]>>[#8:3](-[#6:4])-[H]
EVODEX.1-N607 - Reaction Operator N
[H]-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#8:3]-[#6:4]>>[H]-[#8:3]-[#6:4]
Source Full Reactions
EVODEX.1-R4744
[C:1]([C:2]([O:3][C:4](=[O:5])[C@:6]1([H:16])[C@:7]([C:8](=[C:9]([C:10]([H:17])([H:18])[H:19])[C:11]([H:20])([H:21])[H:22])[H:23])([H:24])[C:12]1([C:13]([H:25])([H:26])[H:27])[C:14]([H:28])([H:29])[H:30])([H:31])[H:32])([H:33])([H:34])[H:35].[H][O:15][H:36]>>[C:1]([C:2]([O:15][H:36])([H:31])[H:32])([H:33])([H:34])[H:35].[H][O:3][C:4](=[O:5])[C@:6]1([H:16])[C@:7]([C:8](=[C:9]([C:10]([H:17])([H:18])[H:19])[C:11]([H:20])([H:21])[H:22])[H:23])([H:24])[C:12]1([C:13]([H:25])([H:26])[H:27])[C:14]([H:28])([H:29])[H:30]