SMIRKS
[C:2]1([H:20]):[C:3]([H:21]):[C:4]([H:22]):[C:5]([C:6]([C:7]2([H:23])[O:8][C:9]2([C:10]2:[C:11]([H:24]):[C:12]([H:25]):[C:13]([H:26]):[C:14]([H:27]):[C:15]:2[H:28])[H:29])([H:30])[H:31]):[C:16]([H:32]):[C:17]:1[H:33]>>[H]O[C@@:7]([C:6]([C:5]1:[C:4]([H:22]):[C:3]([H:21]):[C:2]([H:20]):[C:17]([H:33]):[C:16]:1[H:32])([H:30])[H:31])([C@@:9]([O:8][H])([C:10]1:[C:11]([H:24]):[C:12]([H:25]):[C:13]([H:26]):[C:14]([H:27]):[C:15]:1[H:28])[H:29])[H:23]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-E378 - Reaction Operator E
[#6:5]-[#6@@:6]1(-[H:21])-[#8:7]-[#6@:8]-1(-[#6:9])-[H:29]>>[#6:5]-[#6@:6](-[#6@@:8](-[#8:7]-[H])(-[#6:9])-[H:29])(-[#8]-[H])-[H:21]
EVODEX.1-C899 - Reaction Operator C
[#8:7]1-[#6@@:6]-[#6@:8]-1>>[H]-[#8]-[#6@:6]-[#6@@:8]-[#8:7]-[H]
EVODEX.1-N1133 - Reaction Operator N
[#6:5]-[#6@@:6]1(-[H:21])-[#8:7]-[#6@:8]-1(-[#6:9])-[H:29]>>[H]-[#8]-[#6@:6](-[#6:5])(-[#6@@:8](-[#8:7]-[H])(-[#6:9])-[H:29])-[H:21]
EVODEX.1-Em125 - Reaction Operator Em
[#6:5]-[#6:6]1-[#8:7]-[#6:8]-1>>[H]-[#8]-[#6:6](-[#6:5])-[#6:8]-[#8:7]-[H]
EVODEX.1-Nm159 - Reaction Operator Nm
[#6:5]-[#6:6]1-[#8:7]-[#6:8]-1>>[H]-[#8]-[#6:6](-[#6:5])-[#6:8]-[#8:7]-[H]
Source Full Reactions
EVODEX.1-R5387
[H][O:1][H:18].[C:2]1([H:20]):[C:3]([H:21]):[C:4]([H:22]):[C:5]([C:6]([C:7]2([H:23])[O:8][C:9]2([C:10]2:[C:11]([H:24]):[C:12]([H:25]):[C:13]([H:26]):[C:14]([H:27]):[C:15]:2[H:28])[H:29])([H:30])[H:31]):[C:16]([H:32]):[C:17]:1[H:33]>>[H][O:8][C@:9]([C@@:7]([O:1][H:18])([C:6]([C:5]1:[C:4]([H:22]):[C:3]([H:21]):[C:2]([H:20]):[C:17]([H:33]):[C:16]:1[H:32])([H:30])[H:31])[H:23])([C:10]1:[C:11]([H:24]):[C:12]([H:25]):[C:13]([H:26]):[C:14]([H:27]):[C:15]:1[H:28])[H:29]