SMIRKS
[N:1]([C:2]([C:3](=[O:4])[N:5]([C:6]([C:7]([O:8][H:13])([H:14])[H:15])([C:9](=[O:10])[O:11][H:16])[H:17])[H:18])([H:19])[H:20])([H:21])[H:22]>>[H]O[C:3]([C:2]([N:1]([H:21])[H:22])([H:19])[H:20])=[O:4].[H][N:5]([C@@:6]([C:7]([O:8][H:13])([H:14])[H:15])([C:9](=[O:10])[O:11][H:16])[H:17])[H:18]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-E393 - Reaction Operator E
[#6:1]-[#6:2](=[#8:3])-[#7:4](-[#6:5](-[#6:6])(-[#6:7])-[H:28])-[H:29]>>[#6:1]-[#6:2](=[#8:3])-[#8]-[H].[#7:4](-[#6@@:5](-[#6:6])(-[#6:7])-[H:28])(-[H:29])-[H]
EVODEX.1-N1254 - Reaction Operator N
[#6:4]-[#6@:5](-[#7:6](-[#6:7](=[#8:8])-[#6:9])-[H:25])(-[#6:16])-[H:27]>>[H]-[#8]-[#6:7](=[#8:8])-[#6:9].[H]-[#7:6](-[#6@@:5](-[#6:4])(-[#6:16])-[H:27])-[H:25]
EVODEX.1-Em50 - Reaction Operator Em
[#6:7]-[#7:8]-[#6:9](-[#6:10])=[#8:11]>>[H]-[#8]-[#6:9](-[#6:10])=[#8:11].[H]-[#7:8]-[#6:7]
EVODEX.1-Nm48 - Reaction Operator Nm
[#6:5]-[#7:6]-[#6:7](=[#8:8])-[#6:9]>>[H]-[#8]-[#6:7](=[#8:8])-[#6:9].[H]-[#7:6]-[#6:5]
Source Full Reactions
EVODEX.1-R5426
[N:1]([C:2]([C:3](=[O:4])[N:5]([C:6]([C:7]([O:8][H:13])([H:14])[H:15])([C:9](=[O:10])[O:11][H:16])[H:17])[H:18])([H:19])[H:20])([H:21])[H:22].[H][O:12][H:23]>>[N:1]([C:2]([C:3](=[O:4])[O:12][H:23])([H:19])[H:20])([H:21])[H:22].[H][N:5]([C@@:6]([C:7]([O:8][H:13])([H:14])[H:15])([C:9](=[O:10])[O:11][H:16])[H:17])[H:18]