Hydrochloric Acid → 4-({{4-[(4-Butylphenyl)ethynyl]benzyl}[2-(4-chlorophenyl)ethyl]amino}-methyl)benzoic 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]([CH2:19][CH2:20][c:21]3[cH:22][cH:23][c:24]([Cl:27])[cH:25][cH:26]3)[CH2:28][c:29]3[cH:30][cH:31][c:32]([C:33](=[O:34])[O:35][CH3:36])[cH:37][cH:38]3)[cH:39][cH:40]2)[cH:9][cH:10]1.[CH3:44][OH:45].[ClH:43].[Na+:42].[OH-: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]([CH2:19][CH2:20][c:21]3[cH:22][cH:23][c:24]([Cl:27])[cH:25][cH:26]3)[CH2:28][c:29]3[cH:30][cH:31][c:32]([C:33](=[O:34])[OH:35])[cH:37][cH:38]3)[cH:39][cH:40]2)[cH:9][cH:10]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-a2b1134f8cab4a7ea7c893f17da75b7a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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