Acetic Acid → 2-Benzo[1,3]dioxol-5-yl-4-butylsulfanyl-6-isopropoxy-2H-chromene-3-carboxylic acid
Reaction equation
[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[CH2:3]([CH2:4][CH2:5][CH3:6])[SH:7].[CH3:35][C:36](=[O:37])[OH:38].[H-:1].[Na+:2].[O:8]1[CH2:9][O:10][c:11]2[c:12]1[cH:13][cH:14][c:15]([CH:17]1[O:18][c:19]3[cH:20][cH:21][c:22]([O:31][CH:32]([CH3:33])[CH3:34])[cH:23][c:24]3[C:25]([Cl:30])=[C:26]1[C:27](=[O:28])[OH:29])[cH:16]2>>[CH2:3]([CH2:4][CH2:5][CH3:6])[S:7][C:25]1=[C:26]([C:27](=[O:28])[OH:29])[CH:17]([c:15]2[cH:14][cH:13][c:12]3[c:11]([cH:16]2)[O:10][CH2:9][O:8]3)[O:18][c:19]2[cH:20][cH:21][c:22]([O:31][CH:32]([CH3:33])[CH3:34])[cH:23][c:24]21Participants
7
Sources & evidence
- ORD record
- ord-89f15e9f1d694c0e99dda469a3d29705
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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