SMIRKS
[C:1]([C:2]([C:3]([C:4](=[O:5])[H:10])([H:11])[H:12])([H:13])[H:14])([H:15])([H:16])[H:17]>>[H]OC([H])([H])C(=O)[C@:4]([C:3]([C:2]([C:1]([H:15])([H:16])[H:17])([H:13])[H:14])([H:11])[H:12])([O:5][H])[H:10]
Derived Operators
EVODEX.1-F234 - Elemental Balance
| O | 2 |
| C | 2 |
| H | 4 |
EVODEX.1-M75 - Mass Difference
60.02112
EVODEX.1-E954 - Reaction Operator E
[#6:1]-[#6:2](=[#8:3])-[H:18]>>[#6:1]-[#6:2](-[#8:3]-[H])(-[#6](=[#8])-[#6](-[#8]-[H])(-[H])-[H])-[H:18]
EVODEX.1-C264 - Reaction Operator C
[#8:15]=[#6:16]>>[H]-[#8]-[#6](-[H])(-[H])-[#6](=[#8])-[#6@@:16]-[#8:15]-[H]
EVODEX.1-N291 - Reaction Operator N
[#8:15]=[#6:16](-[#6@:17])-[H:34]>>[H]-[#8]-[#6](-[H])(-[H])-[#6](=[#8])-[#6@@:16](-[#8:15]-[H])(-[#6@:17])-[H:34]
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-R1889
[C:1]([C:2]([C:3]([C:4](=[O:5])[H:13])([H:14])[H:15])([H:16])[H:17])([H:18])([H:19])[H:20].[H][O:8][C:7](=[O:6])[C:9](=[O:10])[C:11]([O:12][H:22])([H:23])[H:24]>>[H][O:5][C:4]([C:3]([C:2]([C:1]([H:18])([H:19])[H:20])([H:16])[H:17])([H:14])[H:15])([C:9](=[O:10])[C:11]([O:12][H:22])([H:23])[H:24])[H:13].[O:6]=[C:7]=[O:8]
EVODEX.1-R1902
[C:1]([C:2]([C:3]([C:4](=[O:5])[H:20])([H:21])[H:22])([H:23])[H:24])([H:25])([H:26])[H:27].[H][O:11][C@:10]([C:7](=[O:6])[C:8]([O:9][H:28])([H:29])[H:30])([C@:12]([O:13][H:32])([C:14]([O:15][P:16](=[O:17])([O:18][H:33])[O:19][H:34])([H:35])[H:36])[H:37])[H:38]>>[H][O:5][C:4]([C:3]([C:2]([C:1]([H:25])([H:26])[H:27])([H:23])[H:24])([H:21])[H:22])([C:7](=[O:6])[C:8]([O:9][H:28])([H:29])[H:30])[H:20].[C:10](=[O:11])([C:12]([O:13][H:32])([C:14]([O:15][P:16](=[O:17])([O:18][H:33])[O:19][H:34])([H:35])[H:36])[H:37])[H:38]
EVODEX.1-R1888
[C:1]([C:2]([C:3]([C:4](=[O:5])[H:10])([H:11])[H:12])([H:13])[H:14])([H:15])([H:16])[H:17].[H][C:7](=[O:6])[C:8]([O:9][H:18])([H:19])[H:20]>>[H][O:5][C@@:4]([C:3]([C:2]([C:1]([H:15])([H:16])[H:17])([H:13])[H:14])([H:11])[H:12])([C:7](=[O:6])[C:8]([O:9][H:18])([H:19])[H:20])[H:10]