SMIRKS
[O:2]([C@:3]1([H:21])[C@:4]([O:5][H:22])([H:23])[C@@:6]([O:7][C:8]([C:9]2:[C:10]([H:24]):[C:11]([H:25]):[C:12]([H:26]):[C:13]([H:27]):[C:14]:2[H:28])([H:29])[H:30])([H:31])[O:15][C:16]([H:32])([H:33])[C@:17]1([O:18][H:34])[H:35])[H:36]>>[H]O[C@@:6]1([H:31])[C@@:4]([O:5][H:22])([H:23])[C@:3]([O:2][H:36])([H:21])[C@@:17]([O:18][H:34])([H:35])[C:16]([H:32])([H:33])[O:15]1.[H][O:7][C:8]([C:9]1:[C:10]([H:24]):[C:11]([H:25]):[C:12]([H:26]):[C:13]([H:27]):[C:14]:1[H:28])([H:29])[H:30]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-C188 - Reaction Operator C
([#8:7]-[#6@@:6]-[#6@:4].[#6@:17])>>([H]-[#8]-[#6@@:6]-[#6@@:4].[#6@@:17]).[H]-[#8:7]
EVODEX.1-N681 - Reaction Operator N
[#8:5]-[#6@@:4]1(-[#6@:3]-[#6@@:17](-[#6:16]-[#8:15]-[#6@:6]-1(-[#8:7]-[#6:8])-[H:31])(-[#8:18])-[H:35])-[H:23]>>[H]-[#8]-[#6@@:6]1(-[H:31])-[#6@@:4](-[#8:5])(-[H:23])-[#6@:3]-[#6@@:17](-[#8:18])(-[H:35])-[#6:16]-[#8:15]-1.[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-R5320
[H][O:1][H:19].[O:2]([C@:3]1([H:21])[C@:4]([O:5][H:22])([H:23])[C@@:6]([O:7][C:8]([C:9]2:[C:10]([H:24]):[C:11]([H:25]):[C:12]([H:26]):[C:13]([H:27]):[C:14]:2[H:28])([H:29])[H:30])([H:31])[O:15][C:16]([H:32])([H:33])[C@:17]1([O:18][H:34])[H:35])[H:36]>>[O:1]([C@@:6]1([H:31])[C@@:4]([O:5][H:22])([H:23])[C@:3]([O:2][H:36])([H:21])[C@@:17]([O:18][H:34])([H:35])[C:16]([H:32])([H:33])[O:15]1)[H:19].[H][O:7][C:8]([C:9]1:[C:10]([H:24]):[C:11]([H:25]):[C:12]([H:26]):[C:13]([H:27]):[C:14]:1[H:28])([H:29])[H:30]