Acetonitrile → 3-(4-fluorophenyl)-5-(2-phenylethynyl)-1-(tetrahydropyran-2-yl)-1H-indazole
Reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5](-[c:17]3[cH:18][cH:19][c:20]([F:23])[cH:21][cH:22]3)[n:6][n:7]([CH:11]3[O:12][CH2:13][CH2:14][CH2:15][CH2:16]3)[c:8]2[cH:9][cH:10]1.[CH3:24][CH2:25][N:26]([CH2:27][CH3:28])[CH2:29][CH3:30].[CH3:61][C:62]#[N:63].[c:31]1([CH3:32])[cH:33][cH:34][cH:35][cH:36][c:37]1[P:38]([c:39]1[cH:40][cH:41][cH:42][cH:43][c:44]1[CH3:45])[c:46]1[cH:47][cH:48][cH:49][cH:50][c:51]1[CH3:52].[c:53]1([C:59]#[CH:60])[cH:54][cH:55][cH:56][cH:57][cH:58]1>>[c:2]1([C:60]#[C:59][c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[cH:3][c:4]2[c:5](-[c:17]3[cH:18][cH:19][c:20]([F:23])[cH:21][cH:22]3)[n:6][n:7]([CH:11]3[O:12][CH2:13][CH2:14][CH2:15][CH2:16]3)[c:8]2[cH:9][cH:10]1Participants
6
Sources & evidence
- ORD record
- ord-7adcd5b62ee144b68cae5ef89c755e0f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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