Ethanol → 2-{[(4-{3-[(2,4-Difluorobenzyl)(heptyl)amino]-3-oxopropyl}phenyl)thio]methyl}benzoic acid
Reaction equation
[CH3:42][CH2:43][O:44][C:45]([CH3:46])=[O:47].[CH3:48][CH2:49][OH:50].[F:1][c:2]1[c:3]([CH2:4][N:5]([C:6]([CH2:7][CH2:8][c:9]2[cH:10][cH:11][c:12]([S:15][CH2:16][c:17]3[c:18]([C:19](=[O:20])[O:21][CH3:22])[cH:23][cH:24][cH:25][cH:26]3)[cH:13][cH:14]2)=[O:27])[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH3:34])[cH:35][cH:36][c:37]([F:39])[cH:38]1.[K+:41].[OH-:40]>>[F:1][c:2]1[c:3]([CH2:4][N:5]([C:6]([CH2:7][CH2:8][c:9]2[cH:10][cH:11][c:12]([S:15][CH2:16][c:17]3[c:18]([C:19](=[O:20])[OH:21])[cH:23][cH:24][cH:25][cH:26]3)[cH:13][cH:14]2)=[O:27])[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH3:34])[cH:35][cH:36][c:37]([F:39])[cH:38]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-dd9b1188dad44b338831aedb409abbd9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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