SMIRKS
[O:2]=[C:3]([O:4][H:22])[C:5](=[C:6]([C:7]1:[C:8]([H:23]):[C:9]([H:24]):[C:10]([C:11]2:[C:12]([H:25]):[C:13]([H:26]):[C:14]([H:27]):[C:15]([H:28]):[C:16]:2[H:29]):[C:17]([H:30]):[C:18]:1[H:31])[H:32])[H:33]>>[H]N([H])[C:5]([C:3](=[O:2])[O:4][H:22])([C:6]([H])([C:7]1:[C:8]([H:23]):[C:9]([H:24]):[C:10]([C:11]2:[C:12]([H:25]):[C:13]([H:26]):[C:14]([H:27]):[C:15]([H:28]):[C:16]:2[H:29]):[C:17]([H:30]):[C:18]:1[H:31])[H:32])[H:33]
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-R7081
[H][N:1]([H:19])[H:20].[O:2]=[C:3]([O:4][H:22])[C:5](=[C:6]([C:7]1:[C:8]([H:23]):[C:9]([H:24]):[C:10]([C:11]2:[C:12]([H:25]):[C:13]([H:26]):[C:14]([H:27]):[C:15]([H:28]):[C:16]:2[H:29]):[C:17]([H:30]):[C:18]:1[H:31])[H:32])[H:33]>>[H][C:6]([C:5]([N:1]([H:19])[H:20])([C:3](=[O:2])[O:4][H:22])[H:33])([C:7]1:[C:8]([H:23]):[C:9]([H:24]):[C:10]([C:11]2:[C:12]([H:25]):[C:13]([H:26]):[C:14]([H:27]):[C:15]([H:28]):[C:16]:2[H:29]):[C:17]([H:30]):[C:18]:1[H:31])[H:32]