Dichloromethane → {4-[8-Bromomethyl-2,2,4,4-tetramethyl-chroman-6-ylethynyl]-phenyl}-acetic acid methyl ester
Reaction equation
[Br:49][N:50]1[C:51](=[O:52])[CH2:53][CH2:54][C:55]1=[O:56].[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][cH:7][c:8]([C:11]#[C:12][c:13]2[cH:14][c:15]3[c:20]([c:21]([CH2:23][OH:24])[cH:22]2)[O:19][C:18]([CH3:25])([CH3:26])[CH2:17][C:16]3([CH3:27])[CH3:28])[cH:9][cH:10]1)=[O:29].[Cl:57][CH2:58][Cl:59].[c:30]1([P:31]([c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[cH:44][cH:45][cH:46][cH:47][cH:48]1>>[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][cH:7][c:8]([C:11]#[C:12][c:13]2[cH:14][c:15]3[c:20]([c:21]([CH2:23][Br:49])[cH:22]2)[O:19][C:18]([CH3:25])([CH3:26])[CH2:17][C:16]3([CH3:27])[CH3:28])[cH:9][cH:10]1)=[O:29]Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-089658b41c4b48d185f7f9abf845f68e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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