Formaldehyde → 2-[(1-Methylethyl)oxy]-5-[3-(2-methyl-1,2,3,4-tetrahydro-5-isoquinolinyl)-1,2,4-oxadiazol-5-yl]benzonitrile

Reaction equation

[CH2:28]=[O:29].[CH3:1][CH:2]([CH3:3])[O:4][c:5]1[c:6]([C:7]#[N:8])[cH:9][c:10](-[c:13]2[n:14][c:15](-[c:18]3[c:19]4[c:24]([cH:25][cH:26][cH:27]3)[CH2:23][NH:22][CH2:21][CH2:20]4)[n:16][o:17]2)[cH:11][cH:12]1.[Cl:30][CH2:31][Cl:32]>>[CH3:1][CH:2]([CH3:3])[O:4][c:5]1[c:6]([C:7]#[N:8])[cH:9][c:10](-[c:13]2[n:14][c:15](-[c:18]3[c:19]4[c:24]([cH:25][cH:26][cH:27]3)[CH2:23][N:22]([CH3:28])[CH2:21][CH2:20]4)[n:16][o:17]2)[cH:11][cH:12]1

Participants

Reactant 3

HCID 712Formaldehyde

HCID 6344Dichloromethane

HCID 441248992-[(1-Methylethyl)oxy]-5-[3-(1,2,3,4-tetrahydro-5-isoquinolinyl)-1,2,4-oxadiazol-5-yl]benzonitrile

Product 1

HCID 441250302-[(1-Methylethyl)oxy]-5-[3-(2-methyl-1,2,3,4-tetrahydro-5-isoquinolinyl)-1,2,4-oxadiazol-5-yl]benzonitrile

Sources & evidence

ORD record: ord-e920bc9abc4442618d0615eb6807a5e4
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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