Ethanol → 3-{4-[3-(3-Ethyl-5,5-dimethyl-4,5,6,7-tetrahydro-benzo[c]thiophen-1-yl)-3-oxo-propyl]-2,6-dimethyl-phenyl}-propionic acid
Reaction equation
[CH2:1]([CH3:2])[c:3]1[c:4]2[c:5]([c:6]([C:8]([CH:9]=[CH:10][c:11]3[cH:12][c:13]([CH3:23])[c:14]([CH2:18][CH2:19][C:20](=[O:21])[OH:22])[c:15]([CH3:17])[cH:16]3)=[O:24])[s:7]1)[CH2:25][CH2:26][C:27]([CH3:29])([CH3:30])[CH2:28]2.[CH3:40][CH2:41][OH:42].[CH:31]([N:32]([CH2:33][CH3:34])[CH:35]([CH3:36])[CH3:37])([CH3:38])[CH3:39]>>[CH2:1]([CH3:2])[c:3]1[c:4]2[c:5]([c:6]([C:8]([CH2:9][CH2:10][c:11]3[cH:12][c:13]([CH3:23])[c:14]([CH2:18][CH2:19][C:20](=[O:21])[OH:22])[c:15]([CH3:17])[cH:16]3)=[O:24])[s:7]1)[CH2:25][CH2:26][C:27]([CH3:29])([CH3:30])[CH2:28]2Participants
4
Reactant 3
Product 1
Sources & evidence
- ORD record
- ord-4b9e25bffb42448ebbe2fa35c5a9a649
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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