tert-Butanol → 4-[1-(4-pentafluoroethyloxy-phenyl)-1H-[1,2,4]triazol-3-yl]-benzoyl azide
Reaction equation
[C:53]([OH:54])([CH3:55])([CH3:56])[CH3:57].[CH3:46][CH2:47][N:48]([CH2:49][CH3:50])[CH2:51][CH3:52].[F:1][C:2]([C:3]([F:4])([F:5])[F:6])([O:7][c:8]1[cH:9][cH:10][c:11](-[n:14]2[n:15][c:16](-[c:19]3[cH:20][cH:21][c:22]([C:23](=[O:24])[OH:25])[cH:26][cH:27]3)[n:17][cH:18]2)[cH:12][cH:13]1)[F:28].[c:29]1([P:30]([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)(=[O:37])[N:43]=[N+:44]=[N-:45])[cH:38][cH:39][cH:40][cH:41][cH:42]1>>[F:1][C:2]([C:3]([F:4])([F:5])[F:6])([O:7][c:8]1[cH:9][cH:10][c:11](-[n:14]2[n:15][c:16](-[c:19]3[cH:20][cH:21][c:22]([C:23](=[O:25])[N:43]=[N+:44]=[N-:45])[cH:26][cH:27]3)[n:17][cH:18]2)[cH:12][cH:13]1)[F:28]Participants
5
Sources & evidence
- ORD record
- ord-da2eba54449e47f997200f4ac3e12f1f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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