Dimethyl Sulfoxide → 2-(5-isoquinolinyl)-N-{4-[(trifluoromethyl)thio]benzyl}propanamide
Reaction equation
[CH3:43][S:44]([CH3:45])=[O:46].[F:1][C:2]([S:3][c:4]1[cH:5][cH:6][c:7]([CH2:8][NH2:9])[cH:10][cH:11]1)([F:12])[F:13].[cH:14]1[n:15][cH:16][cH:17][c:18]2[c:19]([CH:24]([C:25](=[O:26])[OH:27])[CH3:28])[cH:20][cH:21][cH:22][c:23]12.[cH:29]1[c:30]2[c:31]([c:32]([CH2:33][C:34]([OH:35])=[O:36])[cH:37][cH:38][cH:39]2)[cH:40][cH:41][n:42]1>>[F:1][C:2]([S:3][c:4]1[cH:5][cH:6][c:7]([CH2:8][NH:9][C:25]([CH:24]([c:19]2[c:18]3[cH:17][cH:16][n:15][cH:14][c:23]3[cH:22][cH:21][cH:20]2)[CH3:28])=[O:26])[cH:10][cH:11]1)([F:12])[F:13]Participants
5
Sources & evidence
- ORD record
- ord-6d5203398d744d369bff76fbc009f47a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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