SMIRKS
[C:1]([C:2]([C:3]([C:4]([C:5]1([H:12])[C:6]([H:13])([H:14])[C:7]([H:15])([H:16])[C:8](=[O:9])[O:10]1)([H:17])[H:18])([H:19])[H:20])([H:21])[H:22])([H:23])([H:24])[H:25]>>[H]O[C:5]([C:4]([C:3]([C:2]([C:1]([H:23])([H:24])[H:25])([H:21])[H:22])([H:19])[H:20])([H:17])[H:18])([C:6]([C:7]([C:8](=[O:9])[O:10][H])([H:15])[H:16])([H:13])[H:14])[H:12]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-E372 - Reaction Operator E
[#6:6]-[#6@:7](-[#6:8])(-[H:25])-[#8:9]-[#6:10]>>([#6:6]-[#6:7](-[#6:8])(-[#8]-[H])-[H:25].[#6:10]-[#8:9]-[H])
EVODEX.1-N627 - Reaction Operator N
[#6:3]-[#6:4](-[H:11])(-[#6:5])-[#8:9]-[#6:7]>>([H]-[#8]-[#6:4](-[#6:3])(-[#6:5])-[H:11].[#6:7]-[#8:9]-[H])
EVODEX.1-Em596 - Reaction Operator Em
[#6:3]-[#6:4](-[#6:5])-[#8:9]-[#6:7]>>([H]-[#8]-[#6:4](-[#6:3])-[#6:5].[#6:7]-[#8:9]-[H])
EVODEX.1-Nm534 - Reaction Operator Nm
[#6:3]-[#6:4](-[#6:5])-[#8:9]-[#6:7]>>([H]-[#8]-[#6:4](-[#6:3])-[#6:5].[#6:7]-[#8:9]-[H])
Source Full Reactions
EVODEX.1-R4823
[C:1]([C:2]([C:3]([C:4]([C:5]1([H:12])[C:6]([H:13])([H:14])[C:7]([H:15])([H:16])[C:8](=[O:9])[O:10]1)([H:17])[H:18])([H:19])[H:20])([H:21])[H:22])([H:23])([H:24])[H:25].[H][O:11][H:26]>>[H][O:10][C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:23])([H:24])[H:25])([H:21])[H:22])([H:19])[H:20])([H:17])[H:18])([O:11][H:26])[H:12])([H:13])[H:14])([H:15])[H:16])=[O:9]