Ethanol → 6-Chloro-7-(4-(4,4-dimethylcyclohexylcarbamoyl)phenoxy)chroman-4-carboxylic acid
Reaction equation
[CH2:37]1[O:38][CH2:39][CH2:40][CH2:41]1.[CH3:42][CH2:43][OH:44].[Cl:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][c:11]1[O:12][c:13]1[cH:14][cH:15][c:16]([C:19]([NH:20][CH:21]3[CH2:22][CH2:23][C:24]([CH3:27])([CH3:28])[CH2:25][CH2:26]3)=[O:29])[cH:17][cH:18]1)[O:8][CH2:7][CH2:6][CH:5]2[C:30](=[O:31])[O:32][CH2:33][CH3:34].[Na+:36].[OH-:35]>>[Cl:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][c:11]1[O:12][c:13]1[cH:14][cH:15][c:16]([C:19]([NH:20][CH:21]3[CH2:22][CH2:23][C:24]([CH3:27])([CH3:28])[CH2:25][CH2:26]3)=[O:29])[cH:17][cH:18]1)[O:8][CH2:7][CH2:6][CH:5]2[C:30](=[O:31])[OH:32]Participants
6
Sources & evidence
- ORD record
- ord-ed2358f5d2fd4a0cb8b2a6413bc88c9b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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