Ethanol → 2-(3-Bromo-phenoxy)-3-(4-[2-(2-cyclohexyl-5-methyl-oxazol-4-yl)-ethoxy]-phenyl}-2-methyl-propionic acid
Reaction equation
[CH2:3]([CH3:4])[O:5][C:6]([C:7]([CH2:8][c:9]1[cH:10][cH:11][c:12]([O:15][CH2:16][CH2:17][c:18]2[n:19][c:20]([CH:24]3[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]3)[o:21][c:22]2[CH3:23])[cH:13][cH:14]1)([CH3:30])[O:31][c:32]1[cH:33][c:34]([Br:38])[cH:35][cH:36][cH:37]1)=[O:39].[CH2:40]([O:41][C:42](=[O:43])[C:44]([CH3:45])([O:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1)[CH2:53][c:54]1[cH:55][cH:56][c:57]([O:58][CH2:59][CH2:60][c:61]2[n:62][c:63]([CH:64]3[CH2:65][CH2:66][CH2:67][CH2:68][CH2:69]3)[o:70][c:71]2[CH3:72])[cH:73][cH:74]1)[CH3:75].[CH3:76][CH2:77][OH:78].[Na+:2].[OH-:1]>>[O:5]=[C:6]([C:7]([CH2:8][c:9]1[cH:10][cH:11][c:12]([O:15][CH2:16][CH2:17][c:18]2[n:19][c:20]([CH:24]3[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]3)[o:21][c:22]2[CH3:23])[cH:13][cH:14]1)([CH3:30])[O:31][c:32]1[cH:33][c:34]([Br:38])[cH:35][cH:36][cH:37]1)[OH:39]Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-f796b915a044421ca71b8becf1fdf95a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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