Methanol → Acetic acid 5,5-dimethyl-4-oxo-hex-2-ynyl ester
Reaction equation
[C:1]([C:2]([CH3:3])([CH3:4])[CH3:5])(=[O:6])[Cl:7].[C:8]([CH3:9])(=[O:10])[O:11][CH2:12][C:13]#[CH:14].[CH3:57][OH:58].[I-:15].[Pd:16]([Cl:17])[Cl:18].[c:19]1([P:20]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:33][cH:34][cH:35][cH:36][cH:37]1.[c:38]1([P:39]([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[cH:52][cH:53][cH:54][cH:55][cH:56]1>>[C:1]([C:2]([CH3:3])([CH3:4])[CH3:5])(=[O:6])[C:14]#[C:13][CH2:12][O:11][C:8]([CH3:9])=[O:10]Participants
7
Sources & evidence
- ORD record
- ord-01b1012270764b5ca56fe82f7cbc233e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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