Toluene → 4-[1-(4-Bromo-3,5-dimethyl-phenoxy)-2-methyl-propyl]-benzoic acid methyl ester
Reaction equation
[Br:47][c:48]1[c:49]([CH3:56])[cH:50][c:51]([OH:55])[cH:52][c:53]1[CH3:54].[CH2:34]([P:35]([CH2:36][CH2:37][CH2:38][CH3:39])[CH2:40][CH2:41][CH2:42][CH3:43])[CH2:44][CH2:45][CH3:46].[CH3:1][O:2][C:3]([c:4]1[cH:5][cH:6][c:7]([CH:10]([CH:11]([CH3:12])[CH3:13])[OH:14])[cH:8][cH:9]1)=[O:15].[CH3:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[N:16]([C:17]([N:18]1[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]1)=[O:24])=[N:25][C:26]([N:27]1[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32]1)=[O:33]>>[CH3:1][O:2][C:3]([c:4]1[cH:5][cH:6][c:7]([CH:10]([CH:11]([CH3:12])[CH3:13])[O:14][c:51]2[cH:50][c:49]([CH3:56])[c:48]([Br:47])[c:53]([CH3:54])[cH:52]2)[cH:8][cH:9]1)=[O:15]Participants
6
Sources & evidence
- ORD record
- ord-ad9f640c74e34dcf8974270cf0d2814b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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