SMIRKS
[H][C@:2]([N:1]([H:22])[H:23])([C:3](=[O:4])[O:5][H:16])[C:6]1:[C:7]([H:17]):[C:8]([H:18]):[C:9]([H:19]):[C:10]([H:20]):[C:11]:1[Cl:12].[O:14]=[O:15]>>O=[C:2]([C:3](=[O:4])[O:5][H:16])[C:6]1:[C:7]([H:17]):[C:8]([H:18]):[C:9]([H:19]):[C:10]([H:20]):[C:11]:1[Cl:12].[H][N:1]([H:22])[H:23].[H][O:14][O:15][H]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-C28 - Reaction Operator C
[H]-[#6:1]-[#7:2].[#8:13]=[#8:14]>>[#8]=[#6:1].[H]-[#7:2].[H]-[#8:13]-[#8:14]-[H]
EVODEX.1-N43 - Reaction Operator N
[H]-[#6@:2](-[#6:1])(-[#7:3](-[H:17])-[H:18])-[#6:4].[#8:15]=[#8:16]>>[#8]=[#6:2](-[#6:1])-[#6:4].[H]-[#7:3](-[H:17])-[H:18].[H]-[#8:15]-[#8:16]-[H]
EVODEX.1-Em344 - Reaction Operator Em
[H]-[#6:2](-[#7:1])(-[#6:3]=[#8:4])-[#6:6].[#8:14]=[#8:15]>>[#8]=[#6:2](-[#6:3]=[#8:4])-[#6:6].[H]-[#7:1].[H]-[#8:14]-[#8:15]-[H]
EVODEX.1-Cm67 - Reaction Operator Cm
[H]-[#6:1]-[#7:2].[#8:13]=[#8:14]>>[#8]=[#6:1].[H]-[#7:2].[H]-[#8:13]-[#8:14]-[H]
EVODEX.1-Nm116 - Reaction Operator Nm
[H]-[#6:2](-[#6:1])(-[#7:3])-[#6:4].[#8:15]=[#8:16]>>[#8]=[#6:2](-[#6:1])-[#6:4].[H]-[#7:3].[H]-[#8:15]-[#8:16]-[H]
Source Full Reactions
EVODEX.1-R1002
[H][C@:2]([N:1]([H:22])[H:23])([C:3](=[O:4])[O:5][H:16])[C:6]1:[C:7]([H:17]):[C:8]([H:18]):[C:9]([H:19]):[C:10]([H:20]):[C:11]:1[Cl:12].[O:14]=[O:15].[H][O:13][H]>>[C:2]([C:3](=[O:4])[O:5][H:16])([C:6]1:[C:7]([H:17]):[C:8]([H:18]):[C:9]([H:19]):[C:10]([H:20]):[C:11]:1[Cl:12])=[O:13].[H][N:1]([H:22])[H:23].[H][O:14][O:15][H]