Water → 4-[7-Hydroxy-3-methyl-4-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-2,4-dihydrochromen-3-yl]benzoic acid
Reaction equation
[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1.[OH2:42].[OH:1][c:2]1[cH:3][cH:4][c:5]2[c:10]([cH:11]1)[O:9][CH2:8][C:7]([CH3:12])([c:13]1[cH:14][cH:15][c:16]([C:17](=[O:18])[OH:19])[cH:20][cH:21]1)[CH:6]2[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][S:31][CH2:32][CH2:33][CH2:34][C:35]([C:36]([F:37])([F:38])[F:39])([F:40])[F:41]>>[OH:1][c:2]1[cH:3][cH:4][c:5]2[c:10]([cH:11]1)[O:9][CH2:8][C:7]([CH3:12])([c:13]1[cH:14][cH:15][c:16]([C:17](=[O:18])[OH:19])[cH:20][cH:21]1)[CH:6]2[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][S:31]([CH2:32][CH2:33][CH2:34][C:35]([C:36]([F:37])([F:38])[F:39])([F:40])[F:41])=[O:42]Participants
4
Sources & evidence
- ORD record
- ord-db42be65be83470dab4928a123f37bd6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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