Methanol → 2-[4-(2,2-dimethylbutyl)-1-trityl-1H-imidazol-2-yl]-1-[4-(5-fluoropyridin-2-yl)phenyl]ethanamine
Reaction equation
[CH3:51][OH:52].[H:49][H:50].[N:1](=[N+:2]=[N-:3])[CH:4]([CH2:5][c:6]1[n:7]([C:17]([c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)([c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[cH:8][c:9]([CH2:11][C:12]([CH2:13][CH3:14])([CH3:15])[CH3:16])[n:10]1)[c:36]1[cH:37][cH:38][c:39](-[c:42]2[n:43][cH:44][c:45]([F:48])[cH:46][cH:47]2)[cH:40][cH:41]1>>[NH2:1][CH:4]([CH2:5][c:6]1[n:7]([C:17]([c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)([c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[cH:8][c:9]([CH2:11][C:12]([CH2:13][CH3:14])([CH3:15])[CH3:16])[n:10]1)[c:36]1[cH:37][cH:38][c:39](-[c:42]2[n:43][cH:44][c:45]([F:48])[cH:46][cH:47]2)[cH:40][cH:41]1Participants
4
Sources & evidence
- ORD record
- ord-0566e3c469de495dbe6bed9025569110
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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