p-Toluenesulfonic acid → 3-Hydroxypropyl 3-fluoro-4-(hexadecylamino)benzoate
Reaction equation
[CH2:29]([CH2:30][CH2:31][OH:32])[OH:33].[F:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[O:7][CH3:8])[cH:9][cH:10][c:11]1[NH:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH3:28].[c:34]1([CH3:35])[cH:36][cH:37][c:38]([S:39]([OH:40])(=[O:41])=[O:42])[cH:43][cH:44]1>>[F:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[O:7][CH2:8][CH2:30][CH2:31][OH:32])[cH:9][cH:10][c:11]1[NH:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH3:28]Participants
4
Sources & evidence
- ORD record
- ord-60748989cd854374b03b7dce2f283a30
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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