Potassium Cation → 2-{4-[1-(3-Benzyl-7-chloro-4-oxo-3,4-dihydro-quinazolin-2-yl)-2-methyl-propylamino]-3-oxo-butyl}-isoindole-1,3-dione

HRID 1138506Notes

Reaction equation

HRID 1138506 reaction equation
[Br:25][CH2:26][C:27]([CH2:28][CH2:29][N:30]1[C:31](=[O:40])[c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]2[C:38]1=[O:39])=[O:41].[C:42](=[O:43])([O-:44])[O-:45].[K+:46].[K+:47].[NH2:1][CH:2]([CH:3]([CH3:4])[CH3:5])[c:6]1[n:7][c:8]2[cH:9][c:10]([Cl:24])[cH:11][cH:12][c:13]2[c:14](=[O:23])[n:15]1[CH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1.[O:48]=[CH:49][N:50]([CH3:51])[CH3:52].[OH2:53]>>[NH:1]([CH:2]([CH:3]([CH3:4])[CH3:5])[c:6]1[n:7][c:8]2[cH:9][c:10]([Cl:24])[cH:11][cH:12][c:13]2[c:14](=[O:23])[n:15]1[CH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[CH2:26][C:27]([CH2:28][CH2:29][N:30]1[C:31](=[O:40])[c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]2[C:38]1=[O:39])=[O:41]

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 37597442-(4-Bromo-3-oxobutyl)-1H-isoindole-1,3(2H)-dioneHCID 222387982-(1-amino-2-methylpropyl)-3-benzyl-7-chloroquinazolin-4(3H)-one

Product 1

HCID 690786472-{4-[1-(3-Benzyl-7-chloro-4-oxo-3,4-dihydro-quinazolin-2-yl)-2-methyl-propylamino]-3-oxo-butyl}-isoindole-1,3-dione

Sources & evidence

ORD record
ord-8031e80c50284ce2b150b172e6c6f759
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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