Methanol → 4-[7-Hydroxy-3-methyl-4-[9-(4,4,5,5,5-pentafluoropentylsulfanyl)nonyl]-2,4-dihydrochromen-3-yl]benzoic acid
Reaction equation
[CH3:1][O:2][C:3]([c:4]1[cH:5][cH:6][c:7]([C:10]2([CH3:41])[CH2:11][O:12][c:13]3[cH:14][c:15]([OH:40])[cH:16][cH:17][c:18]3[CH:19]2[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][S:29][CH2:30][CH2:31][CH2:32][C:33]([C:34]([F:35])([F:36])[F:37])([F:38])[F:39])[cH:8][cH:9]1)=[O:42].[CH3:46][CH2:47][O:48][CH2:49][CH3:50].[CH3:51][OH:52].[Na+:44].[O:53]1[CH2:54][CH2:55][CH2:56][CH2:57]1.[OH-:43].[OH2:45]>>[O:2]=[C:3]([c:4]1[cH:5][cH:6][c:7]([C:10]2([CH3:41])[CH2:11][O:12][c:13]3[cH:14][c:15]([OH:40])[cH:16][cH:17][c:18]3[CH:19]2[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][S:29][CH2:30][CH2:31][CH2:32][C:33]([C:34]([F:35])([F:36])[F:37])([F:38])[F:39])[cH:8][cH:9]1)[OH:42]Participants
8
Sources & evidence
- ORD record
- ord-c6fea55a76b044418874077b1d6cb7c4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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