SMIRKS
[O:2]([C:3]([C@:4]1([H:23])[O:5][C@:6]([O:7][C:8]2:[C:9]([Cl:10]):[C:11]([H:24]):[C:12]([Cl:13]):[C:14]([H:25]):[C:15]:2[Cl:16])([H:26])[C@@:17]([O:18][H:27])([H:28])[C@:19]1([O:20][H:29])[H:30])([H:31])[H:32])[H:33]>>[H]O[C@:6]1([H:26])[O:5][C@:4]([C:3]([O:2][H:33])([H:31])[H:32])([H:23])[C@@:19]([O:20][H:29])([H:30])[C@:17]1([O:18][H:27])[H:28].[H][O:7][C:8]1:[C:9]([Cl:10]):[C:11]([H:24]):[C:12]([Cl:13]):[C:14]([H:25]):[C:15]:1[Cl:16]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-C540 - Reaction Operator C
[#8:7]-[#6@:6]-[#6@@:26]-[#6@:28]>>[H]-[#8]-[#6:6]-[#6@:26]-[#6@@:28].[H]-[#8:7]
EVODEX.1-N689 - Reaction Operator N
[#8:5]1-[#6@:4]-[#6@@:28](-[#6@:26](-[#6@@:6]-1(-[#8:7]-[#6@:8])-[H:50])(-[#8:27])-[H:52])(-[#8:29])-[H:54]>>[H]-[#8]-[#6:6]1(-[H:50])-[#8:5]-[#6@:4]-[#6@@:28](-[#8:29])(-[H:54])-[#6@:26]-1(-[#8:27])-[H:52].[H]-[#8:7]-[#6@:8]
EVODEX.1-Em39 - Reaction Operator Em
[#6:5]-[#6:6](-[#8:7]-[#6:8])-[#8:20]>>[H]-[#8]-[#6:6](-[#6:5])-[#8:20].[H]-[#8:7]-[#6:8]
EVODEX.1-Nm43 - Reaction Operator Nm
[#6:5]-[#6:6](-[#8:7]-[#6:8])-[#8:20]>>[H]-[#8]-[#6:6](-[#6:5])-[#8:20].[H]-[#8:7]-[#6:8]
Source Full Reactions
EVODEX.1-R5349
[H][O:1][H:21].[O:2]([C:3]([C@:4]1([H:23])[O:5][C@:6]([O:7][C:8]2:[C:9]([Cl:10]):[C:11]([H:24]):[C:12]([Cl:13]):[C:14]([H:25]):[C:15]:2[Cl:16])([H:26])[C@@:17]([O:18][H:27])([H:28])[C@:19]1([O:20][H:29])[H:30])([H:31])[H:32])[H:33]>>[O:1]([C@:6]1([H:26])[O:5][C@:4]([C:3]([O:2][H:33])([H:31])[H:32])([H:23])[C@@:19]([O:20][H:29])([H:30])[C@:17]1([O:18][H:27])[H:28])[H:21].[H][O:7][C:8]1:[C:9]([Cl:10]):[C:11]([H:24]):[C:12]([Cl:13]):[C:14]([H:25]):[C:15]:1[Cl:16]