SMIRKS
[H][C@:5]([N:4]([C:2]([C:1]([H:32])([H:33])[H:34])=[O:3])[H:31])([C:6]([H])([C:7]1:[C:8]([H:21]):[N:9]([H:22]):[C:10]2:[C:11]([H:23]):[C:12]([H:24]):[C:13]([H:25]):[C:14]([H:26]):[C:15]:1:2)[H:27])[C:16](=[O:17])[O:18][H:29]>>[C:1]([C:2](=[O:3])[N:4]([C:5](=[C:6]([C:7]1:[C:8]([H:21]):[N:9]([H:22]):[C:10]2:[C:11]([H:23]):[C:12]([H:24]):[C:13]([H:25]):[C:14]([H:26]):[C:15]:1:2)[H:27])[C:16](=[O:17])[O:18][H:29])[H:31])([H:32])([H:33])[H:34]
Derived Operators
EVODEX.1-M5 - Mass Difference
-2.01566
EVODEX.1-E56 - Reaction Operator E
[#6:5](=[#8:6])-[#6@@:7](-[#6:8](-[#6:9])(-[H:26])-[H])(-[H])-[#7:15]>>[#6:5](=[#8:6])-[#6:7](=[#6:8](-[#6:9])-[H:26])-[#7:15]
EVODEX.1-N1081 - Reaction Operator N
[H]-[#6:5](-[#6:4])(-[#6@:6](-[H])(-[#7:7])-[#6:12])-[H:22]>>[#6:4]-[#6:5](=[#6:6](-[#7:7])-[#6:12])-[H:22]
EVODEX.1-Em322 - Reaction Operator Em
[H]-[#6:5](-[#6:4])-[#6:6](-[H])(-[#7:7])-[#6:12]=[#8:13]>>[#6:4]-[#6:5]=[#6:6](-[#7:7])-[#6:12]=[#8:13]
EVODEX.1-Nm726 - Reaction Operator Nm
[H]-[#6:5](-[#6:4])-[#6:6](-[H])(-[#7:7])-[#6:12]>>[#6:4]-[#6:5]=[#6:6](-[#7:7])-[#6:12]
Source Full Reactions
EVODEX.1-R817
[H][C@:5]([N:4]([C:2]([C:1]([H:32])([H:33])[H:34])=[O:3])[H:31])([C:6]([H])([C:7]1:[C:8]([H:21]):[N:9]([H:22]):[C:10]2:[C:11]([H:23]):[C:12]([H:24]):[C:13]([H:25]):[C:14]([H:26]):[C:15]:1:2)[H:27])[C:16](=[O:17])[O:18][H:29].[O:19]=[O:20]>>[C:1]([C:2](=[O:3])[N:4]([C:5](=[C:6]([C:7]1:[C:8]([H:21]):[N:9]([H:22]):[C:10]2:[C:11]([H:23]):[C:12]([H:24]):[C:13]([H:25]):[C:14]([H:26]):[C:15]:1:2)[H:27])[C:16](=[O:17])[O:18][H:29])[H:31])([H:32])([H:33])[H:34].[H][O:19][O:20][H]