Methylparaben → Methyl 4-[(5-bromo-2-ethylthiophen-3-yl)(cyclohexyl)methoxy]benzoate
Reaction equation
[Br:1][c:2]1[cH:3][c:4]([CH:9]([OH:10])[CH:11]2[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]2)[c:5]([CH2:7][CH3:8])[s:6]1.[CH2:46]([P:47]([CH2:48][CH2:49][CH2:50][CH3:51])[CH2:52][CH2:53][CH2:54][CH3:55])[CH2:56][CH2:57][CH3:58].[N:28]([C:29]([N:30]1[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]1)=[O:36])=[N:37][C:38]([N:39]1[CH2:40][CH2:41][CH2:42][CH2:43][CH2:44]1)=[O:45].[O:59]1[CH2:60][CH2:61][CH2:62][CH2:63]1.[OH:17][c:18]1[cH:19][cH:20][c:21]([C:22](=[O:23])[O:24][CH3:25])[cH:26][cH:27]1>>[Br:1][c:2]1[cH:3][c:4]([CH:9]([O:10][c:18]2[cH:19][cH:20][c:21]([C:22](=[O:23])[O:24][CH3:25])[cH:26][cH:27]2)[CH:11]2[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]2)[c:5]([CH2:7][CH3:8])[s:6]1Participants
6
Sources & evidence
- ORD record
- ord-e765a32afd3c4af2825dbfae7fe7be2a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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