2,2-Di-(fluoromethyl)propanol → HCID 178432977, compound
Reaction equation
[CH2:9]([c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1)[O:16][CH:17]([CH:18]([CH2:19][c:20]1[cH:21][c:22]([F:27])[cH:23][c:24]([F:26])[cH:25]1)[N:28]([CH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)[CH2:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1)[CH:43]1[NH:44][CH:45]([CH3:50])[CH:46]([OH:49])[O:47][CH2:48]1.[F:1][CH2:2][C:3]([CH2:4][OH:5])([CH3:6])[CH2:7][F:8]>>[F:1][CH2:2][C:3]([CH2:4][O:5][CH:46]1[CH:45]([CH3:50])[NH:44][CH:43]([CH:17]([O:16][CH2:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[CH:18]([CH2:19][c:20]2[cH:21][c:22]([F:27])[cH:23][c:24]([F:26])[cH:25]2)[N:28]([CH2:29][c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[CH2:36][c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[CH2:48][O:47]1)([CH3:6])[CH2:7][F:8]Participants
3
Sources & evidence
- ORD record
- ord-889e8991d62241d5960edd1a2beb3583
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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