Hydrochloric Acid → 5-[{4-[(4-Butylphenyl)ethynyl]benzoyl}(hexyl)amino]-2-fluorobenzoic acid
Reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:11]#[C:12][c:13]2[cH:14][cH:15][c:16]([C:17](=[O:18])[N:19]([c:20]3[cH:21][cH:22][c:23]([F:30])[c:24]([C:25](=[O:26])[O:27][CH3:28])[cH:29]3)[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH3:36])[cH:37][cH:38]2)[cH:9][cH:10]1.[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[ClH:43].[Li+:41].[OH-:40].[OH2:39].[OH2:42]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:11]#[C:12][c:13]2[cH:14][cH:15][c:16]([C:17](=[O:18])[N:19]([c:20]3[cH:21][cH:22][c:23]([F:30])[c:24]([C:25](=[O:26])[OH:27])[cH:29]3)[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH3:36])[cH:37][cH:38]2)[cH:9][cH:10]1Participants
7
Sources & evidence
- ORD record
- ord-708b888ba59a4b36a43af5cb06b9555c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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