Ethanol → Methyl 3-fluoro-4-(hexadecylamino)benzoate
Reaction equation
[CH3:30][I:31].[CH3:33][N:34]([P:35]([N:36]([CH3:37])[CH3:38])([N:39]([CH3:40])[CH3:41])=[O:42])[CH3:43].[CH3:44][CH2:45][OH:46].[F:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[OH:7])[cH:8][cH:9][c:10]1[NH:11][CH2:12][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][CH3:27].[H-:28].[Na+:29].[OH2:32]>>[F:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[O:7][CH3:30])[cH:8][cH:9][c:10]1[NH:11][CH2:12][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][CH3:27]Participants
8
Sources & evidence
- ORD record
- ord-fdf49c74a0c84227aec089757f365b49
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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