SMIRKS
[O:15]=[C:16]([C@:17]([O:18][H:23])([C@:19]([O:20][H:24])([C:21]([O:22][H:25])([H:26])[H:27])[H:28])[H:29])[H:30]>>[H]OC([H])([H])C(=O)[C@@:16]([O:15][H])([C@:17]([O:18][H:23])([C@:19]([O:20][H:24])([C:21]([O:22][H:25])([H:26])[H:27])[H:28])[H:29])[H:30]
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-R1903
[O:15]=[C:16]([C@:17]([O:18][H:23])([C@:19]([O:20][H:24])([C:21]([O:22][H:25])([H:26])[H:27])[H:28])[H:29])[H:30].[H][O:6][C@:5]([C:2](=[O:1])[C:3]([O:4][H:31])([H:32])[H:33])([C@:7]([O:8][H:35])([C:9]([O:10][P:11](=[O:12])([O:13][H:36])[O:14][H:37])([H:38])[H:39])[H:40])[H:41]>>[C:5](=[O:6])([C:7]([O:8][H:35])([C:9]([O:10][P:11](=[O:12])([O:13][H:36])[O:14][H:37])([H:38])[H:39])[H:40])[H:41].[H][O:15][C@:16]([C:2](=[O:1])[C:3]([O:4][H:31])([H:32])[H:33])([C@:17]([O:18][H:23])([C@:19]([O:20][H:24])([C:21]([O:22][H:25])([H:26])[H:27])[H:28])[H:29])[H:30]