Toluene → 3-{4-[1-(2,6-Dimethyl-4'-trifluoromethyl-biphenyl-4-yl)-3-methyl-butoxy]-benzoylamino}-propionic acid methyl ester
Reaction equation
[CH2:43]([P:44]([CH2:45][CH2:46][CH2:47][CH3:48])[CH2:49][CH2:50][CH2:51][CH3:52])[CH2:53][CH2:54][CH3:55].[CH3:1][c:2]1[c:3](-[c:15]2[cH:16][cH:17][c:18]([C:21]([F:22])([F:23])[F:24])[cH:19][cH:20]2)[c:4]([CH3:14])[cH:5][c:6]([CH:8]([CH2:9][CH:10]([CH3:11])[CH3:12])[OH:13])[cH:7]1.[CH3:56][O:57][C:58]([CH2:59][CH2:60][NH:61][C:62]([c:63]1[cH:64][cH:65][c:66]([OH:69])[cH:67][cH:68]1)=[O:70])=[O:71].[CH3:72][c:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]1.[N:25]([C:26]([N:27]1[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32]1)=[O:33])=[N:34][C:35]([N:36]1[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41]1)=[O:42]>>[CH3:1][c:2]1[c:3](-[c:15]2[cH:16][cH:17][c:18]([C:21]([F:22])([F:23])[F:24])[cH:19][cH:20]2)[c:4]([CH3:14])[cH:5][c:6]([CH:8]([CH2:9][CH:10]([CH3:11])[CH3:12])[O:13][c:66]2[cH:65][cH:64][c:63]([C:62]([NH:61][CH2:60][CH2:59][C:58]([O:57][CH3:56])=[O:71])=[O:70])[cH:68][cH:67]2)[cH:7]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-4b0f1d176d304e929eca54af6e95e8c0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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