Toluene → 3'-Fluoro-4'-{[4-(5-methyl-6,13-dioxadispiro[3.2.5.2]tetradec-10-yl)-5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl}biphenyl-2-carbonitrile
Reaction equation
[CH3:46][c:47]1[cH:48][cH:49][c:50]([S:51](=[O:52])(=[O:53])[OH:54])[cH:55][cH:56]1.[CH3:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[F:1][c:2]1[cH:3][c:4](-[c:29]2[c:30]([C:35]#[N:36])[cH:31][cH:32][cH:33][cH:34]2)[cH:5][cH:6][c:7]1[CH2:8][c:9]1[c:10](=[O:28])[n:11]([CH:21]2[CH2:22][CH2:23][C:24](=[O:27])[CH2:25][CH2:26]2)[c:12]2[n:13]([c:14]1[CH2:15][CH2:16][CH3:17])[n:18][cH:19][n:20]2.[OH:37][CH2:38][C:39]1([CH:43]([CH3:44])[OH:45])[CH2:40][CH2:41][CH2:42]1>>[F:1][c:2]1[cH:3][c:4](-[c:29]2[c:30]([C:35]#[N:36])[cH:31][cH:32][cH:33][cH:34]2)[cH:5][cH:6][c:7]1[CH2:8][c:9]1[c:10](=[O:28])[n:11]([CH:21]2[CH2:22][CH2:23][C:24]3([CH2:25][CH2:26]2)[O:27][CH:43]([CH3:44])[C:39]2([CH2:38][O:37]3)[CH2:40][CH2:41][CH2:42]2)[c:12]2[n:13]([c:14]1[CH2:15][CH2:16][CH3:17])[n:18][cH:19][n:20]2Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-97373dd1f57f47be99f5d6ea2c96501a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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