Bromide ion → 4'-[(4-{4-[1-(1-Acetylcyclobutyl)ethoxy]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-:49].[CH3:50][Mg+:51].[CH:1](=[O:2])[C:3]1([CH:7]([CH3:8])[O:9][CH:10]2[CH2:11][CH2:12][CH:13]([n:16]3[c:17]4[n:18]([c:19]([CH2:38][CH2:39][CH3:40])[c:20]([CH2:23][c:24]5[cH:25][cH:26][c:27](-[c:30]6[c:31]([C:36]#[N:37])[cH:32][cH:33][cH:34][cH:35]6)[cH:28][cH:29]5)[c:21]3=[O:22])[n:41][cH:42][n:43]4)[CH2:14][CH2:15]2)[CH2:4][CH2:5][CH2:6]1.[ClH:52].[O:44]1[CH2:45][CH2:48][CH2:47][CH2:46]1.[O:53]1[CH2:54][CH2:55][CH2:56][CH2:57]1>>[C:1](=[O:2])([C:3]1([CH:7]([CH3:8])[O:9][CH:10]2[CH2:11][CH2:12][CH:13]([n:16]3[c:17]4[n:18]([c:19]([CH2:38][CH2:39][CH3:40])[c:20]([CH2:23][c:24]5[cH:25][cH:26][c:27](-[c:30]6[c:31]([C:36]#[N:37])[cH:32][cH:33][cH:34][cH:35]6)[cH:28][cH:29]5)[c:21]3=[O:22])[n:41][cH:42][n:43]4)[CH2:14][CH2:15]2)[CH2:4][CH2:5][CH2:6]1)[CH3:45]Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-a7a6efc35aad4c03b3a4a65fd29a69b8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
Loading…