Bicarbonate Ion → [7-(3-Fluoro-benzyloxy)-2-isopropyl-4-oxo-4H-quinazolin-3-yl]-acetonitrile

HRID 312728Notes

Reaction equation

HRID 312728 reaction equation
[C:28](=[O:29])([O-:30])[OH:31].[CH3:33][N:34]([CH3:35])[CH:36]=[O:37].[Cl:38][CH2:39][Cl:40].[F:1][c:2]1[cH:3][c:4]([CH2:5][O:6][c:7]2[cH:8][cH:9][c:10]3[c:11](=[O:24])[n:12]([CH2:20][C:21](=[O:22])[NH2:23])[c:13]([CH:17]([CH3:18])[CH3:19])[n:14][c:15]3[cH:16]2)[cH:25][cH:26][cH:27]1.[Na+:32]>>[F:1][c:2]1[cH:3][c:4]([CH2:5][O:6][c:7]2[cH:8][cH:9][c:10]3[c:11](=[O:24])[n:12]([CH2:20][C:21]#[N:23])[c:13]([CH:17]([CH3:18])[CH3:19])[n:14][c:15]3[cH:16]2)[cH:25][cH:26][cH:27]1

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 21991768HCID 21991768, compound

Product 1

HCID 21991785[7-(3-Fluoro-benzyloxy)-2-isopropyl-4-oxo-4H-quinazolin-3-yl]-acetonitrile

Sources & evidence

ORD record
ord-56e2fcf6ddfb46cfba4ef703ccdd10bf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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