Tetrahydrofuran → 4-((5-bromo-2-trityl-2H-1,2,4-triazol-3-yl)(5-ethoxy-2-fluoro-3-isopropoxyphenyl)methylamino)benzonitrile
Reaction equation
[Br:1][c:2]1[n:3][n:4]([C:8]([c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:5]([Br:7])[n:6]1.[CH2:32]([CH3:33])[O:34][c:35]1[cH:36][c:37]([O:52][CH:53]([CH3:54])[CH3:55])[c:38]([F:51])[c:39]([CH:40]=[N:41][c:42]2[cH:43][cH:44][c:45]([C:46]#[N:47])[cH:48][cH:49]2)[cH:50]1.[CH2:56]1[O:57][CH2:58][CH2:59][CH2:60]1.[CH3:27][CH2:28][CH2:29][CH2:30][Li:31]>>[Br:1][c:2]1[n:3][n:4]([C:8]([c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:5]([N:41]([CH2:40][c:39]2[c:38]([F:51])[c:37]([O:52][CH:53]([CH3:54])[CH3:55])[cH:36][c:35]([O:34][CH2:32][CH3:33])[cH:50]2)[c:42]2[cH:43][cH:44][c:45]([C:46]#[N:47])[cH:48][cH:49]2)[n:6]1Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-0154d99e65bb491dbf02c5316cfc5586
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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