SMIRKS
[O:2]([C@:3]1([H:24])[C@:4]([O:5][H:25])([H:26])[C@:6]([O:7][C@:8]2([H:27])[C:9]([H:28])([H:29])[O:10][C@:11]([O:12][F:13])([H:30])[C@@:14]([O:15][H:31])([H:32])[C@:16]2([O:17][H:33])[H:34])([H:35])[O:18][C:19]([H:36])([H:37])[C@:20]1([O:21][H:38])[H:39])[H:40]>>[H]O[C@:6]1([H:35])[C@@:4]([O:5][H:25])([H:26])[C@:3]([O:2][H:40])([H:24])[C@@:20]([O:21][H:38])([H:39])[C:19]([H:36])([H:37])[O:18]1.[H][O:7][C@:8]1([H:27])[C:9]([H:28])([H:29])[O:10][C@:11]([O:12][F:13])([H:30])[C@@:14]([O:15][H:31])([H:32])[C@:16]1([O:17][H:33])[H:34]
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-R5216
[H][O:1][H:22].[O:2]([C@:3]1([H:24])[C@:4]([O:5][H:25])([H:26])[C@:6]([O:7][C@:8]2([H:27])[C:9]([H:28])([H:29])[O:10][C@:11]([O:12][F:13])([H:30])[C@@:14]([O:15][H:31])([H:32])[C@:16]2([O:17][H:33])[H:34])([H:35])[O:18][C:19]([H:36])([H:37])[C@:20]1([O:21][H:38])[H:39])[H:40]>>[O:1]([C@:6]1([H:35])[C@@:4]([O:5][H:25])([H:26])[C@:3]([O:2][H:40])([H:24])[C@@:20]([O:21][H:38])([H:39])[C:19]([H:36])([H:37])[O:18]1)[H:22].[H][O:7][C@:8]1([H:27])[C:9]([H:28])([H:29])[O:10][C@:11]([O:12][F:13])([H:30])[C@@:14]([O:15][H:31])([H:32])[C@:16]1([O:17][H:33])[H:34]