tert-Butanol → 2-(Isoquinolin-7-ylamino)-N-(4-pentafluoroethyl-phenyl)-nicotinamide
Reaction equation
[C:42]([OH:43])([CH3:44])([CH3:45])[CH3:46].[F:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][c:7]2[cH:8][cH:9][c:10]([C:13]([C:14]([F:15])([F:16])[F:17])([F:18])[F:19])[cH:11][cH:12]2)[cH:20][cH:21][cH:22][n:23]1.[F:35][C:36]([F:37])([F:38])[C:39]([OH:40])=[O:41].[NH2:24][c:25]1[cH:26][cH:27][c:28]2[cH:29][cH:30][n:31][cH:32][c:33]2[cH:34]1>>[c:2]1([NH:24][c:25]2[cH:26][cH:27][c:28]3[cH:29][cH:30][n:31][cH:32][c:33]3[cH:34]2)[c:3]([C:4](=[O:5])[NH:6][c:7]2[cH:8][cH:9][c:10]([C:13]([C:14]([F:15])([F:16])[F:17])([F:18])[F:19])[cH:11][cH:12]2)[cH:20][cH:21][cH:22][n:23]1Participants
5
Sources & evidence
- ORD record
- ord-f3700ae1743141cf837cb3f7736c8c0c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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