Hydrochloric Acid → 5-{[{4-[(4-Butylphenyl)ethynyl]benzoyl}(hexyl)amino]methyl}-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]([CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH3:25])[CH2:26][c:27]3[cH:28][cH:29][c:30]([F:37])[c:31]([C:32](=[O:33])[O:34][CH3:35])[cH:36]3)[cH:38][cH:39]2)[cH:9][cH:10]1.[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[ClH:44].[H-:40].[Li+:42].[OH-:41].[OH2:43]>>[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]([CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH3:25])[CH2:26][c:27]3[cH:28][cH:29][c:30]([F:37])[c:31]([C:32](=[O:33])[OH:34])[cH:36]3)[cH:38][cH:39]2)[cH:9][cH:10]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-c3f23a34bc6f40a49bec975199e56226
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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