Acetic Acid → 9a-butyl-8-chloro-4-ethyl-6-fluoro-7-methoxy-1,2,9,9a-tetrahydro-3H-fluoren-3-one
Reaction equation
[CH2:24]([CH2:25][CH2:26][CH3:27])[C:28]1([CH2:42][CH2:43][C:44]([CH2:45][CH2:46][CH3:47])=[O:48])[C:29](=[O:41])[c:30]2[cH:31][c:32]([F:40])[c:33]([O:38][CH3:39])[c:34]([Cl:37])[c:35]2[CH2:36]1.[CH3:19][O-:20].[CH3:22][OH:23].[CH3:55][C:56](=[O:57])[OH:58].[CH:1]([C:2]([CH2:3][CH2:4][CH3:5])=[O:6])=[CH2:7].[ClH:49].[N:8]12[CH2:9][CH2:10][CH2:11][N:12]=[C:13]1[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]2.[Na+:21].[O:50]1[CH2:51][CH2:52][CH2:53][CH2:54]1>>[CH2:24]([CH2:25][CH2:26][CH3:27])[C:28]12[C:29](=[C:45]([CH2:46][CH3:47])[C:44](=[O:48])[CH2:43][CH2:42]1)[c:30]1[cH:31][c:32]([F:40])[c:33]([O:38][CH3:39])[c:34]([Cl:37])[c:35]1[CH2:36]2Participants
10
Reactant 9
Product 1
Sources & evidence
- ORD record
- ord-ff718af6d65d4455bf5d50f6d7e52b4b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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