Ethanol → 2-Acetyl-4-(2-methoxymethoxy-3,5-di-tert-butylphenyl)benzo[b]thiophene
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([O:18][CH2:19][O:20][CH3:21])[c:7]([B:15]([OH:16])[OH:17])[cH:8][c:9]([C:11]([CH3:12])([CH3:13])[CH3:14])[cH:10]1.[C:22]([CH3:23])(=[O:24])[c:25]1[cH:26][c:27]2[c:28]([s:29]1)[cH:30][cH:31][cH:32][c:33]2[I:34].[C:38](=[O:39])([O-:40])[O-:41].[CH3:35][CH2:36][OH:37].[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[Na+:42].[Na+:43]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([O:18][CH2:19][O:20][CH3:21])[c:7](-[c:33]2[c:27]3[cH:26][c:25]([C:22]([CH3:23])=[O:24])[s:29][c:28]3[cH:30][cH:31][cH:32]2)[cH:8][c:9]([C:11]([CH3:12])([CH3:13])[CH3:14])[cH:10]1Participants
7
Sources & evidence
- ORD record
- ord-1a59032bfd0348d09d6e6b990cb1693c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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