Ethanol → N-[1-[5-(2,5-difluorophenyl)-2-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2,2-dimethylpropyl]-N-[(4-fluoropyrrolidin-3-yl)methyl]-2,6-dimethylmorpholine-4-carboxamide
Reaction equation
[CH3:55][CH2:56][OH:57].[F:1][c:2]1[c:3](-[c:9]2[n:10][n:11]([CH2:47][c:48]3[cH:49][c:50]([F:54])[cH:51][cH:52][cH:53]3)[c:12]([CH:14]([C:15]([CH3:16])([CH3:17])[CH3:18])[N:19]([C:20](=[O:21])[N:22]3[CH2:23][CH:24]([CH3:29])[O:25][CH:26]([CH3:28])[CH2:27]3)[CH2:30][CH:31]3[CH2:32][N:33]([C:37]([O:38][CH2:39][c:40]4[cH:41][cH:42][cH:43][cH:44][cH:45]4)=[O:46])[CH2:34][CH:35]3[F:36])[n:13]2)[cH:4][c:5]([F:8])[cH:6][cH:7]1>>[F:1][c:2]1[c:3](-[c:9]2[n:10][n:11]([CH2:47][c:48]3[cH:49][c:50]([F:54])[cH:51][cH:52][cH:53]3)[c:12]([CH:14]([C:15]([CH3:16])([CH3:17])[CH3:18])[N:19]([C:20](=[O:21])[N:22]3[CH2:23][CH:24]([CH3:29])[O:25][CH:26]([CH3:28])[CH2:27]3)[CH2:30][CH:31]3[CH2:32][NH:33][CH2:34][CH:35]3[F:36])[n:13]2)[cH:4][c:5]([F:8])[cH:6][cH:7]1Participants
3
Sources & evidence
- ORD record
- ord-acc50d0c1b20434e83dd38a0f0698ac2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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