SMIRKS
[C:1]([C:2](=[O:3])[H:14])([H:15])([H:16])[H:17]>>[H]OC(=O)C([H])([H])C([H])([H])C(=O)[C:2]([C:1]([H:15])([H:16])[H:17])([O:3][H])[H:14]
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-R1905
[C:1]([C:2](=[O:3])[H:14])([H:15])([H:16])[H:17].[H][O:13][C:11]([C:9]([C:8]([C:7]([C:5](=[O:4])[O:6][H:18])([H:22])[H:23])([H:20])[H:21])=[O:10])=[O:12]>>[C:11](=[O:12])=[O:13].[H][O:3][C:2]([C:1]([H:15])([H:16])[H:17])([C:9]([C:8]([C:7]([C:5](=[O:4])[O:6][H:18])([H:22])[H:23])([H:20])[H:21])=[O:10])[H:14]