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

HRID 1568855Notes

Reaction equation

HRID 1568855 reaction equation
[C:36]([CH:37]=[CH2:38])(=[O:39])[O:40][CH2:41][CH3:42].[CH3:54][C:55]#[N:56].[CH3:8][CH:9]([CH3:10])[O:11][c:12]1[c:13]([C:14]#[N:15])[cH:16][c:17](-[c:20]2[n:21][c:22](-[c:25]3[c:26]([CH3:35])[c:27]4[c:32]([cH:33][cH:34]3)[CH2:31][NH:30][CH2:29][CH2:28]4)[n:23][o:24]2)[cH:18][cH:19]1.[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[N:43]12[CH2:44][CH2:45][CH2:46][N:47]=[C:48]1[CH2:49][CH2:50][CH2:51][CH2:52][CH2:53]2>>[CH3:8][CH:9]([CH3:10])[O:11][c:12]1[c:13]([C:14]#[N:15])[cH:16][c:17](-[c:20]2[n:21][c:22](-[c:25]3[c:26]([CH3:35])[c:27]4[c:32]([cH:33][cH:34]3)[CH2:31][N:30]([CH2:38][CH2:37][C:36](=[O:39])[O:40][CH2:41][CH3:42])[CH2:29][CH2:28]4)[n:23][o:24]2)[cH:18][cH:19]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 6422Trifluoroacetic acidHCID 8821Ethyl AcrylateHCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 441251685-[3-(5-Methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile

Product 1

HCID 57505851Ethyl 3-[6-(5-{3-cyano-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-cb8a05f8b97a4d27acd014874d964a09
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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