SMIRKS
[O:2]=[C:3]([C:4]1:[C:5]([H:18]):[C:6]([H:19]):[C:7]([C:8](=[C:9]([C:10](=[O:11])[O:12][H:20])[H:21])[H:22]):[C:13]([H:23]):[C:14]:1[H:24])[H:25]>>[H]N([H])[C@@:9]([C:8]([H])([C:7]1:[C:6]([H:19]):[C:5]([H:18]):[C:4]([C:3](=[O:2])[H:25]):[C:14]([H:24]):[C:13]:1[H:23])[H:22])([C:10](=[O:11])[O:12][H:20])[H:21]
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-R7079
[H][N:1]([H:15])[H:16].[O:2]=[C:3]([C:4]1:[C:5]([H:18]):[C:6]([H:19]):[C:7]([C:8](=[C:9]([C:10](=[O:11])[O:12][H:20])[H:21])[H:22]):[C:13]([H:23]):[C:14]:1[H:24])[H:25]>>[H][C:8]([C:7]1:[C:6]([H:19]):[C:5]([H:18]):[C:4]([C:3](=[O:2])[H:25]):[C:14]([H:24]):[C:13]:1[H:23])([C@:9]([N:1]([H:15])[H:16])([C:10](=[O:11])[O:12][H:20])[H:21])[H:22]