Bromide ion → 4'-[(4-{trans-4-[4-(1,3-Dioxan-2-yl)-2-hydroxybutoxy]cyclohexyl}-5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]biphenyl-2-carbonitrile
Reaction equation
[Br-:43].[C:1](#[N:2])[c:3]1[c:4](-[c:9]2[cH:10][cH:11][c:12]([CH2:15][c:16]3[c:17](=[O:42])[n:18]([CH:28]4[CH2:29][CH2:30][CH:31]([O:34][CH2:35][C:36](=[O:37])[N:38]([O:39][CH3:40])[CH3:41])[CH2:32][CH2:33]4)[c:19]4[n:20]([c:21]3[CH2:22][CH2:23][CH3:24])[n:25][cH:26][n:27]4)[cH:13][cH:14]2)[cH:5][cH:6][cH:7][cH:8]1.[ClH:53].[O:44]1[CH:45]([CH2:50][CH2:51][Mg+:52])[O:46][CH2:47][CH2:48][CH2:49]1.[O:54]1[CH2:55][CH2:56][CH2:57][CH2:58]1>>[C:1](#[N:2])[c:3]1[c:4](-[c:9]2[cH:10][cH:11][c:12]([CH2:15][c:16]3[c:17](=[O:42])[n:18]([CH:28]4[CH2:29][CH2:30][CH:31]([O:34][CH2:35][CH:36]([OH:37])[CH2:51][CH2:50][CH:45]5[O:44][CH2:49][CH2:48][CH2:47][O:46]5)[CH2:32][CH2:33]4)[c:19]4[n:20]([c:21]3[CH2:22][CH2:23][CH3:24])[n:25][cH:26][n:27]4)[cH:13][cH:14]2)[cH:5][cH:6][cH:7][cH:8]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-4b1f909029514096806bb9b7600bd50e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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