Toluene → 4-[1-(4-Bromo-3-[1,3]dioxan-2-yl-phenoxy)-3-methyl-butyl]-benzoic acid methyl ester
Reaction equation
[Br:48][c:49]1[c:50]([CH:56]2[O:57][CH2:58][CH2:59][CH2:60][O:61]2)[cH:51][c:52]([OH:55])[cH:53][cH:54]1.[CH2:35]([P:36]([CH2:37][CH2:38][CH2:39][CH3:40])[CH2:41][CH2:42][CH2:43][CH3:44])[CH2:45][CH2:46][CH3:47].[CH3:1][O:2][C:3]([c:4]1[cH:5][cH:6][c:7]([CH:10]([CH2:11][CH:12]([CH3:13])[CH3:14])[OH:15])[cH:8][cH:9]1)=[O:16].[CH3:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1.[N:17]([C:18]([N:19]1[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24]1)=[O:25])=[N:26][C:27]([N:28]1[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]1)=[O:34]>>[CH3:1][O:2][C:3]([c:4]1[cH:5][cH:6][c:7]([CH:10]([CH2:11][CH:12]([CH3:13])[CH3:14])[O:15][c:52]2[cH:51][c:50]([CH:56]3[O:57][CH2:58][CH2:59][CH2:60][O:61]3)[c:49]([Br:48])[cH:54][cH:53]2)[cH:8][cH:9]1)=[O:16]Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-51ebc4ee5a3441f0b218e68428141c99
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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