SMIRKS
[C:1]([O:2][C:3]1:[C:4]([H:15]):[C:5]([H:16]):[C:6]([H:17]):[C:7]([H:18]):[C:8]:1[C:9](=[C:10]([C:11](=[O:12])[O:13][H:19])[H:20])[H:21])([H:22])([H:23])[H:24]>>[H]N([H])[C@@:10]([C:9]([H])([C:8]1:[C:3]([O:2][C:1]([H:22])([H:23])[H:24]):[C:4]([H:15]):[C:5]([H:16]):[C:6]([H:17]):[C:7]:1[H:18])[H:21])([C:11](=[O:12])[O:13][H:19])[H:20]
Derived Operators
EVODEX.1-M47 - Mass Difference
17.02659
EVODEX.1-E836 - Reaction Operator E
[#8:2]=[#6:3]-[#6:5](=[#6:6](-[#6:7])-[H:21])-[H:22]>>[#7](-[#6:5](-[#6:3]=[#8:2])(-[#6:6](-[#6:7])(-[H:21])-[H])-[H:22])(-[H])-[H]
EVODEX.1-N960 - Reaction Operator N
[#6:3]-[#6:5](=[#6:6](-[#6:7])-[H:24])-[H:25]>>[H]-[#7](-[H])-[#6@:5](-[#6:3])(-[#6:6](-[H])(-[#6:7])-[H:24])-[H:25]
EVODEX.1-Em778 - Reaction Operator Em
[#8:2]=[#6:3]-[#6:5]=[#6:6]-[#6:7]>>[H]-[#7](-[H])-[#6:5](-[#6:3]=[#8:2])-[#6:6](-[H])-[#6:7]
EVODEX.1-Nm699 - Reaction Operator Nm
[#6:3]-[#6:5]=[#6:6]-[#6:7]>>[H]-[#7](-[H])-[#6:5](-[#6:3])-[#6:6](-[H])-[#6:7]
Source Full Reactions
EVODEX.1-R7074
[C:1]([O:2][C:3]1:[C:4]([H:15]):[C:5]([H:16]):[C:6]([H:17]):[C:7]([H:18]):[C:8]:1[C:9](=[C:10]([C:11](=[O:12])[O:13][H:19])[H:20])[H:21])([H:22])([H:23])[H:24].[H][N:14]([H:25])[H:26]>>[H][C:9]([C:8]1:[C:3]([O:2][C:1]([H:22])([H:23])[H:24]):[C:4]([H:15]):[C:5]([H:16]):[C:6]([H:17]):[C:7]:1[H:18])([C@@:10]([C:11](=[O:12])[O:13][H:19])([N:14]([H:25])[H:26])[H:20])[H:21]