Methanol → 4'-{[7-Butyl-5-oxo-4-(4-oxocyclohexyl)-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl}biphenyl-2-carbonitrile
Reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[c:6]([CH2:25][c:26]2[cH:27][cH:28][c:29](-[c:32]3[c:33]([C:38]#[N:39])[cH:34][cH:35][cH:36][cH:37]3)[cH:30][cH:31]2)[c:7](=[O:24])[n:8]([CH:14]2[CH2:15][CH2:16][C:17]3([O:18][CH2:21][CH2:20][O:19]3)[CH2:22][CH2:23]2)[c:9]2[n:10]1[n:11][cH:12][n:13]2.[CH3:52][OH:53].[CH3:59][CH2:60][O:61][C:62](=[O:63])[CH3:64].[O:54]1[CH2:55][CH2:56][CH2:57][CH2:58]1.[OH2:40].[c:41]1([CH3:42])[cH:43][cH:44][c:45]([S:46]([OH:47])(=[O:48])=[O:49])[cH:50][cH:51]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[c:6]([CH2:25][c:26]2[cH:27][cH:28][c:29](-[c:32]3[c:33]([C:38]#[N:39])[cH:34][cH:35][cH:36][cH:37]3)[cH:30][cH:31]2)[c:7](=[O:24])[n:8]([CH:14]2[CH2:15][CH2:16][C:17](=[O:18])[CH2:22][CH2:23]2)[c:9]2[n:10]1[n:11][cH:12][n:13]2Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-4c7c7857d1eb4e44b5f3be73d93de56c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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