SMIRKS
[C:1]1([H:17])([H:18])[C:2]([H:19])([H:20])[C:3]([H:21])([H:22])[C:4]2([H:23])[O:5][C:6]2([H:24])[C:7]1([H:25])[H:26].[C:8]1([H:27])([H:28])[C:9]([H:29])([H:30])[C:10]([H:31])([H:32])[C:11]2([H:33])[O:12][C:13]2([H:34])[C:14]1([H:35])[H:36].[H][O:15][H:37]>>[H][O:5][C@@:6]1([H:24])[C@@:4]([O:15][H:37])([H:23])[C:3]([H:21])([H:22])[C:2]([H:19])([H:20])[C:1]([H:17])([H:18])[C:7]1([H:25])[H:26].[H]O[C@@:11]1([H:33])[C:10]([H:31])([H:32])[C:9]([H:29])([H:30])[C:8]([H:27])([H:28])[C:14]([H:35])([H:36])[C@@:13]1([O:12][H])[H:34]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-E193 - Reaction Operator E
[#6:5]-[#6@@:6]1(-[H:21])-[#8:7]-[#6@:8]-1(-[#6:9])-[H:29].[#8:18](-[H:35])-[H]>>[#6:5]-[#6@:6](-[#6@@:8](-[#8:7]-[H])(-[#6:9])-[H:29])(-[#8:18]-[H:35])-[H:21]
EVODEX.1-C1005 - Reaction Operator C
[#8:8]1-[#6@@:7]-[#6@:9]-1.[H]-[#8:20]>>[H]-[#8:8]-[#6@:7]-[#6@:9]-[#8:20]
EVODEX.1-N1252 - Reaction Operator N
[#6:6]-[#6@@:7]1(-[H:23])-[#8:8]-[#6@:9]-1(-[#6:10])-[H:33].[H]-[#8:20]-[H:41]>>[H]-[#8:8]-[#6@:7](-[#6:6])(-[#6@:9](-[#6:10])(-[#8:20]-[H:41])-[H:33])-[H:23]
EVODEX.1-Em126 - Reaction Operator Em
[#6:5]-[#6:6]1-[#8:7]-[#6:8]-1.[H]-[#8:18]>>[H]-[#8:7]-[#6:8]-[#6:6](-[#6:5])-[#8:18]
EVODEX.1-Nm160 - Reaction Operator Nm
[#6:5]-[#6:6]1-[#8:7]-[#6:8]-1.[H]-[#8:18]>>[H]-[#8:7]-[#6:8]-[#6:6](-[#6:5])-[#8:18]
Source Full Reactions
EVODEX.1-R5392
[C:1]1([H:17])([H:18])[C:2]([H:19])([H:20])[C:3]([H:21])([H:22])[C:4]2([H:23])[O:5][C:6]2([H:24])[C:7]1([H:25])[H:26].[C:8]1([H:27])([H:28])[C:9]([H:29])([H:30])[C:10]([H:31])([H:32])[C:11]2([H:33])[O:12][C:13]2([H:34])[C:14]1([H:35])[H:36].[H][O:15][H:37].[H][O:16][H:39]>>[H][O:5][C@@:6]1([H:24])[C@@:4]([O:15][H:37])([H:23])[C:3]([H:21])([H:22])[C:2]([H:19])([H:20])[C:1]([H:17])([H:18])[C:7]1([H:25])[H:26].[H][O:12][C@:13]1([H:34])[C@:11]([O:16][H:39])([H:33])[C:10]([H:31])([H:32])[C:9]([H:29])([H:30])[C:8]([H:27])([H:28])[C:14]1([H:35])[H:36]