Ethanol → 6-Chloro-7-(4-(4-chlorophenethylcarbamoyl)-2-methylphenoxy)chroman-4-carboxylic acid
Reaction equation
[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[CH3:44][CH2:45][OH:46].[Cl:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][c:11]1[O:12][c:13]1[c:14]([CH3:31])[cH:15][c:16]([C:19]([NH:20][CH2:21][CH2:22][c:23]3[cH:24][cH:25][c:26]([Cl:29])[cH:27][cH:28]3)=[O:30])[cH:17][cH:18]1)[O:8][CH2:7][CH2:6][CH:5]2[C:32](=[O:33])[O:34][CH2:35][CH3:36].[Na+:38].[OH-:37]>>[Cl:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][c:11]1[O:12][c:13]1[c:14]([CH3:31])[cH:15][c:16]([C:19]([NH:20][CH2:21][CH2:22][c:23]3[cH:24][cH:25][c:26]([Cl:29])[cH:27][cH:28]3)=[O:30])[cH:17][cH:18]1)[O:8][CH2:7][CH2:6][CH:5]2[C:32](=[O:33])[OH:34]Participants
6
Sources & evidence
- ORD record
- ord-b5c2231d4e0b4df6877874937261099a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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