Hydrochloric Acid → 5-[{4-[(4-Butylphenyl)ethynyl]benzyl}(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]([CH2:17][N:18]([c:19]3[cH:20][cH:21][c:22]([F:29])[c:23]([C:24](=[O:25])[O:26][CH3:27])[cH:28]3)[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH3:35])[cH:36][cH:37]2)[cH:9][cH:10]1.[CH3:42][OH:43].[ClH:40].[Na+:39].[OH-:38].[OH2:41]>>[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]([CH2:17][N:18]([c:19]3[cH:20][cH:21][c:22]([F:29])[c:23]([C:24](=[O:25])[OH:26])[cH:28]3)[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH3:35])[cH:36][cH:37]2)[cH:9][cH:10]1Participants
7
Sources & evidence
- ORD record
- ord-7a76880bbd544ba3a9e4b5ea7c10f103
- Source dataset
- Test data from https://doi.org/10.1039/C8SC04228D
Reaction notes
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