4-Heptylbenzoyl chloride → N-{4-[(4-chlorophenyl)ethynyl]benzyl)-N-(2,2-dimethyl-4-oxo-4H-1,3-benzodioxin-6-yl)-4-heptylbenzamide
Reaction equation
[CH2:31]([CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH3:37])[c:38]1[cH:39][cH:40][c:41]([C:42](=[O:43])[Cl:44])[cH:45][cH:46]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]#[C:9][c:10]2[cH:11][cH:12][c:13]([CH2:14][NH:15][c:16]3[cH:17][c:18]4[c:19]([cH:27][cH:28]3)[O:20][C:21]([CH3:25])([CH3:26])[O:22][C:23]4=[O:24])[cH:29][cH:30]2)[cH:6][cH:7]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]#[C:9][c:10]2[cH:11][cH:12][c:13]([CH2:14][N:15]([c:16]3[cH:17][c:18]4[c:19]([cH:27][cH:28]3)[O:20][C:21]([CH3:25])([CH3:26])[O:22][C:23]4=[O:24])[C:42]([c:41]3[cH:40][cH:39][c:38]([CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH3:37])[cH:46][cH:45]3)=[O:43])[cH:29][cH:30]2)[cH:6][cH:7]1Participants
3
Sources & evidence
- ORD record
- ord-5703fa71dfbc4e7f8f62271b95d8ac29
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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