Toluene → 3-{4-[1-(4'-Trifluoromethyl-biphenyl-4-yloxymethyl)-heptyl]-benzoylamino}-propionic acid methyl ester
Reaction equation
[CH2:42]([P:43]([CH2:44][CH2:45][CH2:46][CH3:47])[CH2:48][CH2:49][CH2:50][CH3:51])[CH2:52][CH2:53][CH3:54].[CH3:18][O:19][C:20]([CH2:21][CH2:22][NH:23][C:24]([c:25]1[cH:26][cH:27][c:28]([CH:31]([CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH3:37])[CH2:38][OH:39])[cH:29][cH:30]1)=[O:40])=[O:41].[CH3:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1.[F:1][C:2]([c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][cH:11][c:12]([OH:15])[cH:13][cH:14]2)[cH:7][cH:8]1)([F:16])[F:17].[N:55]([C:56]([N:57]1[CH2:58][CH2:59][CH2:60][CH2:61][CH2:62]1)=[O:63])=[N:64][C:65]([N:66]1[CH2:67][CH2:68][CH2:69][CH2:70][CH2:71]1)=[O:72]>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][cH:11][c:12]([O:15][CH2:38][CH:31]([c:28]3[cH:27][cH:26][c:25]([C:24]([NH:23][CH2:22][CH2:21][C:20]([O:19][CH3:18])=[O:41])=[O:40])[cH:30][cH:29]3)[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH3:37])[cH:13][cH:14]2)[cH:7][cH:8]1)([F:16])[F:17]Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-51e19236cfca4b1e881316c924452cd6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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