Acetonitrile → Ethyl 3-[6-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-5-methyl-3,4-dihydro-2(1H)-isoquinolinyl]propanoate

HRID 100071Notes

Reaction equation

HRID 100071 reaction equation
[C:46]([CH:47]=[CH2:48])(=[O:49])[O:50][CH2:51][CH3:52].[CH3:53][C:54]#[N:55].[Cl:8][c:9]1[cH:10][c:11](-[c:19]2[n:20][c:21](-[c:24]3[c:25]([CH3:34])[c:26]4[c:31]([cH:32][cH:33]3)[CH2:30][NH:29][CH2:28][CH2:27]4)[n:22][o:23]2)[cH:12][cH:13][c:14]1[O:15][CH:16]([CH3:17])[CH3:18].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[N:35]12[CH2:36][CH2:37][CH2:38][N:39]=[C:40]1[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45]2>>[Cl:8][c:9]1[cH:10][c:11](-[c:19]2[n:20][c:21](-[c:24]3[c:25]([CH3:34])[c:26]4[c:31]([cH:32][cH:33]3)[CH2:30][N:29]([CH2:48][CH2:47][C:46](=[O:49])[O:50][CH2:51][CH3:52])[CH2:28][CH2:27]4)[n:22][o:23]2)[cH:12][cH:13][c:14]1[O:15][CH:16]([CH3:17])[CH3:18]

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 6422Trifluoroacetic acidHCID 8821Ethyl AcrylateHCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 441250345-(3-Chloro-4-propan-2-yloxyphenyl)-3-(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,2,4-oxadiazole

Product 1

HCID 59370484Ethyl 3-[6-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-5-methyl-3,4-dihydro-2(1H)-isoquinolinyl]propanoate

Sources & evidence

ORD record
ord-da6061e21d894e88b05dfc0a81068e8f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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