SMIRKS
[C:1]([C:2]1:[C:3]([H:19]):[C:4]([H:20]):[C:5]([C@@:6]2([H:21])[O:7][C@:8]2([C:9]2:[C:10]([H:22]):[C:11]([H:23]):[C:12]([C:13]([H:24])([H:25])[H:26]):[C:14]([H:27]):[C:15]:2[H:28])[H:29]):[C:16]([H:30]):[C:17]:1[H:31])([H:32])([H:33])[H:34]>>[H]O[C@:6]([C:5]1:[C:4]([H:20]):[C:3]([H:19]):[C:2]([C:1]([H:32])([H:33])[H:34]):[C:17]([H:31]):[C:16]:1[H:30])([C@@:8]([O:7][H])([C:9]1:[C:10]([H:22]):[C:11]([H:23]):[C:12]([C:13]([H:24])([H:25])[H:26]):[C:14]([H:27]):[C:15]:1[H:28])[H:29])[H:21]
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-R5402
[C:1]([C:2]1:[C:3]([H:19]):[C:4]([H:20]):[C:5]([C@@:6]2([H:21])[O:7][C@:8]2([C:9]2:[C:10]([H:22]):[C:11]([H:23]):[C:12]([C:13]([H:24])([H:25])[H:26]):[C:14]([H:27]):[C:15]:2[H:28])[H:29]):[C:16]([H:30]):[C:17]:1[H:31])([H:32])([H:33])[H:34].[H][O:18][H:35]>>[H][O:7][C@:8]([C@@:6]([C:5]1:[C:4]([H:20]):[C:3]([H:19]):[C:2]([C:1]([H:32])([H:33])[H:34]):[C:17]([H:31]):[C:16]:1[H:30])([O:18][H:35])[H:21])([C:9]1:[C:10]([H:22]):[C:11]([H:23]):[C:12]([C:13]([H:24])([H:25])[H:26]):[C:14]([H:27]):[C:15]:1[H:28])[H:29]