Toluene → 4-[1-(4-Bromo-phenoxyl)-heptyl]-benzoic acid methyl ester
Reaction equation
[Br:50][c:51]1[cH:52][cH:53][c:54]([OH:57])[cH:55][cH:56]1.[CH2:37]([P:38]([CH2:39][CH2:40][CH2:41][CH3:42])[CH2:43][CH2:44][CH2:45][CH3:46])[CH2:47][CH2:48][CH3:49].[CH3:1][O:2][C:3]([c:4]1[cH:5][cH:6][c:7]([CH:10]([CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH3:16])[OH:17])[cH:8][cH:9]1)=[O:18].[CH3:58][c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1.[N:19]([C:20]([N:21]1[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26]1)=[O:27])=[N:28][C:29]([N:30]1[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]1)=[O:36]>>[CH3:1][O:2][C:3]([c:4]1[cH:5][cH:6][c:7]([CH:10]([CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH3:16])[O:17][c:54]2[cH:53][cH:52][c:51]([Br:50])[cH:56][cH:55]2)[cH:8][cH:9]1)=[O:18]Participants
6
Sources & evidence
- ORD record
- ord-a04cfdbe590b418b95d18896f04e3462
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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