Benzene → 7-Phenylheptyl propiolate
Reaction equation
[CH3:1][CH2:2][O:3][C:4](=[O:5])[C:6]#[CH:7].[c:22]1([CH3:23])[cH:24][cH:25][c:26]([S:27]([OH:28])(=[O:29])=[O:30])[cH:31][cH:32]1.[c:8]1([CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][OH:21])[cH:9][cH:10][cH:11][cH:12][cH:13]1.[cH:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1>>[CH2:1]([CH2:2][O:3][C:4](=[O:5])[C:6]#[CH:7])[CH2:18][CH2:17][CH2:16][CH2:15][CH2:14][c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1Participants
5
Sources & evidence
- ORD record
- ord-a6932d50e4134c98aeb15c25fdee8e48
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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