SMIRKS
[H][O:1][H:20].[O:2]([C@:3]1([H:22])[C@:4]([O:5][H:23])([H:24])[C@@:6]([O:7][C:8]2:[C:9]([H:25]):[C:10]([Cl:11]):[C:12]([H:26]):[C:13]([Cl:14]):[C:15]:2[H:27])([H:28])[O:16][C:17]([H:29])([H:30])[C@:18]1([O:19][H:31])[H:32])[H:33]>>[O:1]([C@@:6]1([H:28])[C@@:4]([O:5][H:23])([H:24])[C@:3]([O:2][H:33])([H:22])[C@@:18]([O:19][H:31])([H:32])[C:17]([H:29])([H:30])[O:16]1)[H:20].[H][O:7][C:8]1:[C:9]([H:25]):[C:10]([Cl:11]):[C:12]([H:26]):[C:13]([Cl:14]):[C:15]:1[H:27]
Derived Operators
EVODEX.1-C534 - Reaction Operator C
[H]-[#8:1].([#8:7]-[#6@@:6]-[#6@:4].[#6@:73])>>([#8:1]-[#6@@:6]-[#6@@:4].[#6@@:73]).[H]-[#8:7]
EVODEX.1-N682 - Reaction Operator N
[H]-[#8:1]-[H:75].[#8:5]-[#6@@:4]1(-[#6@:3]-[#6@@:73](-[#6:72]-[#8:71]-[#6@:6]-1(-[#8:7]-[#6@:8])-[H:137])(-[#8:74])-[H:141])-[H:79]>>[#8:1](-[#6@@:6]1(-[H:137])-[#6@@:4](-[#8:5])(-[H:79])-[#6@:3]-[#6@@:73](-[#8:74])(-[H:141])-[#6:72]-[#8:71]-1)-[H:75].[H]-[#8:7]-[#6@:8]
EVODEX.1-Em32 - Reaction Operator Em
[H]-[#8:1].[#8:10]-[#6:11](-[#8:12]-[#6:13])-[#6:24]>>[H]-[#8:12]-[#6:13].[#8:1]-[#6:11](-[#8:10])-[#6:24]
EVODEX.1-Nm33 - Reaction Operator Nm
[H]-[#8:1].[#8:10]-[#6:11](-[#8:12]-[#6:13])-[#6:24]>>[H]-[#8:12]-[#6:13].[#8:1]-[#6:11](-[#8:10])-[#6:24]
Source Full Reactions
EVODEX.1-R5318
[H][O:1][H:20].[O:2]([C@:3]1([H:22])[C@:4]([O:5][H:23])([H:24])[C@@:6]([O:7][C:8]2:[C:9]([H:25]):[C:10]([Cl:11]):[C:12]([H:26]):[C:13]([Cl:14]):[C:15]:2[H:27])([H:28])[O:16][C:17]([H:29])([H:30])[C@:18]1([O:19][H:31])[H:32])[H:33]>>[O:1]([C@@:6]1([H:28])[C@@:4]([O:5][H:23])([H:24])[C@:3]([O:2][H:33])([H:22])[C@@:18]([O:19][H:31])([H:32])[C:17]([H:29])([H:30])[O:16]1)[H:20].[H][O:7][C:8]1:[C:9]([H:25]):[C:10]([Cl:11]):[C:12]([H:26]):[C:13]([Cl:14]):[C:15]:1[H:27]