Toluene → 3-{4-[1-(4-Bromo-3-methyl-phenyl)-5-methyl-hexyloxy]-benzoylamino}-propionic acid methyl ester
Reaction equation
[Br:17][c:18]1[c:19]([CH3:32])[cH:20][c:21]([CH:24]([CH2:25][CH2:26][CH2:27][CH:28]([CH3:29])[CH3:30])[OH:31])[cH:22][cH:23]1.[CH2:33]([P:34]([CH2:35][CH2:36][CH2:37][CH3:38])[CH2:39][CH2:40][CH2:41][CH3:42])[CH2:43][CH2:44][CH3:45].[CH3:1][O:2][C:3]([CH2:4][CH2:5][NH:6][C:7]([c:8]1[cH:9][cH:10][c:11]([OH:14])[cH:12][cH:13]1)=[O:15])=[O:16].[CH3:64][c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1.[N:46]([C:47]([N:48]1[CH2:49][CH2:50][CH2:51][CH2:52][CH2:53]1)=[O:54])=[N:55][C:56]([N:57]1[CH2:58][CH2:59][CH2:60][CH2:61][CH2:62]1)=[O:63]>>[CH3:1][O:2][C:3]([CH2:4][CH2:5][NH:6][C:7]([c:8]1[cH:9][cH:10][c:11]([O:14][CH:24]([c:21]2[cH:20][c:19]([CH3:32])[c:18]([Br:17])[cH:23][cH:22]2)[CH2:25][CH2:26][CH2:27][CH:28]([CH3:29])[CH3:30])[cH:12][cH:13]1)=[O:15])=[O:16]Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-35bbaf7ad30a4d9fa93dfd2d8351735e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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