Tetrahydrofuran → [4-(5-Tert-butyl-4-isopropoxy-2-methyl-3-vinyl-phenylethynyl)-phenyl]acetic acid methyl ester
Reaction equation
[CH2:1]=[P:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1.[CH3:21][O:22][C:23]([CH2:24][c:25]1[cH:26][cH:27][c:28]([C:31]#[C:32][c:33]2[c:34]([CH3:49])[c:35]([CH:47]=[O:48])[c:36]([O:43][CH:44]([CH3:45])[CH3:46])[c:37]([C:39]([CH3:40])([CH3:41])[CH3:42])[cH:38]2)[cH:29][cH:30]1)=[O:50].[O:51]1[CH2:52][CH2:53][CH2:54][CH2:55]1>>[CH2:1]=[CH:47][c:35]1[c:34]([CH3:49])[c:33]([C:32]#[C:31][c:28]2[cH:27][cH:26][c:25]([CH2:24][C:23]([O:22][CH3:21])=[O:50])[cH:30][cH:29]2)[cH:38][c:37]([C:39]([CH3:40])([CH3:41])[CH3:42])[c:36]1[O:43][CH:44]([CH3:45])[CH3:46]Participants
4
Sources & evidence
- ORD record
- ord-1388cda758f84fef8906586236a56578
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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