1-Phenylpentan-3-one → 1-{4'-[4-(1-Ethyl-3-phenyl-propylamino)-3-methyl-isoxazol-5-yl]-biphenyl-4-yl}-cyclopropanecarboxylic acid ethyl ester
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[C:6]1([c:9]2[cH:10][cH:11][c:12](-[c:15]3[cH:16][cH:17][c:18](-[c:21]4[c:22]([NH2:27])[c:23]([CH3:26])[n:24][o:25]4)[cH:19][cH:20]3)[cH:13][cH:14]2)[CH2:7][CH2:8]1.[c:28]1([CH2:34][CH2:35][C:36]([CH2:37][CH3:38])=[O:39])[cH:29][cH:30][cH:31][cH:32][cH:33]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[C:6]1([c:9]2[cH:10][cH:11][c:12](-[c:15]3[cH:16][cH:17][c:18](-[c:21]4[c:22]([NH:27][CH:36]([CH2:35][CH2:34][c:28]5[cH:29][cH:30][cH:31][cH:32][cH:33]5)[CH2:37][CH3:38])[c:23]([CH3:26])[n:24][o:25]4)[cH:19][cH:20]3)[cH:13][cH:14]2)[CH2:7][CH2:8]1Participants
3
Sources & evidence
- ORD record
- ord-899ead5f3128453f97122168c3de3349
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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