Acetic Acid → 2-[2-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydronaphth-2-yl)ethynyl]-5-acetoxymethylpyridine
Reaction equation
[CH2:53]([Cl:54])[Cl:55].[CH3:1][C:2]1([CH3:24])[c:3]2[cH:4][cH:5][c:6]([C:14]#[C:15][c:16]3[n:17][cH:18][c:19]([CH2:22][OH:23])[cH:20][cH:21]3)[cH:7][c:8]2[C:9]([CH3:12])([CH3:13])[CH2:10][CH2:11]1.[CH3:25][C:26]([OH:27])=[O:28].[CH3:44][N:45]([CH3:46])[c:47]1[cH:48][cH:49][n:50][cH:51][cH:52]1.[CH:29]1([N:30]=[C:31]=[N:32][CH:33]2[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]2)[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]1>>[CH3:1][C:2]1([CH3:24])[c:3]2[cH:4][cH:5][c:6]([C:14]#[C:15][c:16]3[n:17][cH:18][c:19]([CH2:22][O:23][C:26]([CH3:25])=[O:27])[cH:20][cH:21]3)[cH:7][c:8]2[C:9]([CH3:12])([CH3:13])[CH2:10][CH2:11]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-c07bc661081f4a6cbae47003cc63f5d0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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