Hydrochloric Acid → 3-(4'-Chlorobiphenyl-4-yl)propynoic acid-{4-[(cyclohexylmethylamino)methyl]phenyl}amide
Reaction equation
[CH3:36][OH:37].[CH:20]1([CH2:26][NH:27][CH2:28][c:29]2[cH:30][cH:31][c:32]([NH2:35])[cH:33][cH:34]2)[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]1.[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([C:14]#[C:15][C:16](=[O:17])[OH:18])[cH:12][cH:13]2)[cH:6][cH:7]1.[Cl:38][CH2:39][Cl:40].[ClH:19]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([C:14]#[C:15][C:16](=[O:18])[NH:35][c:32]3[cH:31][cH:30][c:29]([CH2:28][NH:27][CH2:26][CH:20]4[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]4)[cH:34][cH:33]3)[cH:12][cH:13]2)[cH:6][cH:7]1Participants
6
Sources & evidence
- ORD record
- ord-7ddaac2853d04f39a5143cfcf11f2457
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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