Acetone → 4'-[[2-Butyl-4-oxo-6-[2-(4-pentenyl)-2H-tetrazol-5-yl]-3(4H)-quinazolinyl]methyl]-[1,1'-biphenyl]2-carbonitrile

HRID 299604Notes

Reaction equation

HRID 299604 reaction equation
[Br:26][CH2:27][c:28]1[cH:29][cH:30][c:31](-[c:34]2[c:35]([C:40]#[N:41])[cH:36][cH:37][cH:38][cH:39]2)[cH:32][cH:33]1.[C:42](=[O:43])([O-:44])[O-:45].[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[nH:6][c:7]2[cH:8][cH:9][c:10](-[c:16]3[n:17][n:18][n:19]([CH2:21][CH2:22][CH2:23][CH:24]=[CH2:25])[n:20]3)[cH:11][c:12]2[c:13](=[O:15])[n:14]1.[CH3:48][C:49](=[O:50])[CH3:51].[K+:46].[K+:47]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][c:7]2[cH:8][cH:9][c:10](-[c:16]3[n:17][n:18][n:19]([CH2:21][CH2:22][CH2:23][CH:24]=[CH2:25])[n:20]3)[cH:11][c:12]2[c:13](=[O:15])[n:14]1[CH2:27][c:28]1[cH:29][cH:30][c:31](-[c:34]2[c:35]([C:40]#[N:41])[cH:36][cH:37][cH:38][cH:39]2)[cH:32][cH:33]1

Participants

6

Reactant 5

HCID 180AcetoneHCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 15019124'-(Bromomethyl)-2-cyanobiphenylHCID 178446235HCID 178446235, compound

Product 1

HCID 190958484'-[[2-Butyl-4-oxo-6-[2-(4-pentenyl)-2H-tetrazol-5-yl]-3(4H)-quinazolinyl]methyl]-[1,1'-biphenyl]2-carbonitrile

Sources & evidence

ORD record
ord-436f870500064573bc88b9f2d3c2fe86
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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