Acetone → N-cyclopropyl-3-[6-(2,3-dihydroxy-2-methylpropoxy)-4-oxoquinazolin-3(4H)-yl]-4-methylbenzamide

HRID 92575Notes

Reaction equation

HRID 92575 reaction equation
[CH3:30][N+:31]1([O-:32])[CH2:33][CH2:34][O:35][CH2:36][CH2:37]1.[CH3:45][C:46]([CH3:47])=[O:48].[CH3:49][C:50]([OH:51])([CH3:52])[CH3:53].[CH:1]1([NH:4][C:5]([c:6]2[cH:7][c:8](-[n:13]3[cH:14][n:15][c:16]4[cH:17][cH:18][c:19]([O:24][CH2:25][C:26](=[CH2:27])[CH3:28])[cH:20][c:21]4[c:22]3=[O:23])[c:9]([CH3:12])[cH:10][cH:11]2)=[O:29])[CH2:2][CH2:3]1.[Na+:42].[OH2:43].[OH2:44].[S:38](=[O:39])([OH:40])[O-:41]>>[CH:1]1([NH:4][C:5]([c:6]2[cH:7][c:8](-[n:13]3[cH:14][n:15][c:16]4[cH:17][cH:18][c:19]([O:24][CH2:25][C:26]([CH2:27][OH:43])([CH3:28])[OH:44])[cH:20][c:21]4[c:22]3=[O:23])[c:9]([CH3:12])[cH:10][cH:11]2)=[O:29])[CH2:2][CH2:3]1

Participants

8

Reactant 7

HCID 180AcetoneHCID 923Sodium ionHCID 962Water2×HCID 6386tert-ButanolHCID 82029Methyl morpholine oxideHCID 104748BisulfiteHCID 66918821HCID 66918821, compound

Product 1

HCID 11774562N-cyclopropyl-3-[6-(2,3-dihydroxy-2-methylpropoxy)-4-oxoquinazolin-3(4H)-yl]-4-methylbenzamide

Sources & evidence

ORD record
ord-97bba8dc7a8f451ea64a5696f4e5533c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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