Hydrochloric Acid → 4-tert-butyl-N-{4-[(4-butylphenyl)ethynyl]benzyl)-N-(2,2-dimethyl-4-oxo-4H-1,3-benzodioxin-6-yl)benzamide
Reaction equation
[C:35]([CH3:36])([CH3:37])([CH3:38])[c:39]1[cH:40][cH:41][c:42]([C:43](=[O:44])[Cl:45])[cH:46][cH:47]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][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]>>[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:43]([c:42]3[cH:41][cH:40][c:39]([C:35]([CH3:36])([CH3:37])[CH3:38])[cH:47][cH:46]3)=[O:44])[cH:33][cH:34]2)[cH:10][cH:11]1Participants
4
Sources & evidence
- ORD record
- ord-f1626e2318e7490587810d5bf0de6824
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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