Hydrochloric Acid → 2,2,4,4,7-Pentamethyl-6-ethynyl-chroman
Reaction equation
[CH2:49]1[O:50][CH2:51][CH2:52][CH2:53]1.[CH3:1][CH2:2][CH2:3][CH2:4][Li:5].[CH3:54][CH2:55][CH2:56][CH2:57][CH2:58][CH3:59].[CH3:6][C:7]1([CH3:23])[O:8][c:9]2[cH:10][c:11]([CH3:22])[c:12]([C:19]([CH3:20])=[O:21])[cH:13][c:14]2[C:15]([CH3:17])([CH3:18])[CH2:16]1.[CH:33]([N-:34][CH:35]([CH3:36])[CH3:37])([CH3:38])[CH3:39].[CH:41]([NH:42][CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[ClH:48].[Li+:40].[OH2:60].[P:24]([Cl:25])([O:26][CH2:27][CH3:28])([O:29][CH2:30][CH3:31])=[O:32]>>[CH3:6][C:7]1([CH3:23])[O:8][c:9]2[cH:10][c:11]([CH3:22])[c:12]([C:19]#[CH:20])[cH:13][c:14]2[C:15]([CH3:17])([CH3:18])[CH2:16]1Participants
11
Reactant 10
Product 1
Sources & evidence
- ORD record
- ord-babfdfbe9ce14750964fefec7302dd29
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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