Ethanol → 3-(4-(4-((1-(2-Chlorophenyl)ethoxy)carbonyl)isoxazol-3-yl)benzylthio)propanoic acid
Reaction equation
[CH3:33][CH2:34][CH2:35][CH2:36][CH2:37][CH3:38].[CH3:39][CH2:40][OH:41].[Cl:1][c:2]1[c:3]([CH:8]([CH3:9])[O:10][C:11](=[O:12])[NH:13][c:14]2[c:15](-[c:19]3[cH:20][cH:21][c:22]([CH2:23][S:24][CH2:25][CH2:26][C:27](=[O:28])[O:29][CH3:30])[cH:31][cH:32]3)[n:16][o:17][cH:18]2)[cH:4][cH:5][cH:6][cH:7]1>>[Cl:1][c:2]1[c:3]([CH:8]([CH3:9])[O:10][C:11](=[O:12])[NH:13][c:14]2[c:15](-[c:19]3[cH:20][cH:21][c:22]([CH2:23][S:24][CH2:25][CH2:26][C:27](=[O:28])[OH:29])[cH:31][cH:32]3)[n:16][o:17][cH:18]2)[cH:4][cH:5][cH:6][cH:7]1Participants
4
Sources & evidence
- ORD record
- ord-0dd94dab9f614acd9bef85ef73c85b8f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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