Hydrochloric Acid → N-{4-[(4-butylphenyl)ethynyl]benzyl}-N-(2,2-dimethyl-4-oxo-4H-1,3-benzodioxin-6-yl)biphenyl-4-carboxamide
Reaction equation
[CH2:2]([CH2:3][CH2:4][CH3:5])[c:6]1[cH:7][cH:8][c:9]([C:12]#[C:13][c:14]2[cH:15][cH:16][c:17]([CH2:18][NH:19][c:20]3[cH:21][c:22]4[c:23]([cH:31][cH:32]3)[O:24][C:25]([CH3:29])([CH3:30])[O:26][C:27]4=[O:28])[cH:33][cH:34]2)[cH:10][cH:11]1.[ClH:1].[c:35]1(-[c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[cH:36][cH:37][c:38]([C:41](=[O:42])[Cl:43])[cH:39][cH:40]1>>[CH2:2]([CH2:3][CH2:4][CH3:5])[c:6]1[cH:7][cH:8][c:9]([C:12]#[C:13][c:14]2[cH:15][cH:16][c:17]([CH2:18][N:19]([c:20]3[cH:21][c:22]4[c:23]([cH:31][cH:32]3)[O:24][C:25]([CH3:29])([CH3:30])[O:26][C:27]4=[O:28])[C:41]([c:38]3[cH:37][cH:36][c:35](-[c:44]4[cH:45][cH:46][cH:47][cH:48][cH:49]4)[cH:40][cH:39]3)=[O:42])[cH:33][cH:34]2)[cH:10][cH:11]1Participants
4
Sources & evidence
- ORD record
- ord-596c267506ec40a8a6d8ebbe01ec8f5a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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