Dimethyl Sulfoxide → 7-(2,5-Dichloropyrimidin-4-ylamino)-4-(4-isopropylpiperazin-1-yl)-2-methyl-2,3-dihydroisoindol-1-one

HRID 696805Notes

Reaction equation

HRID 696805 reaction equation
[C:22](=[O:23])([O-:24])[O-:25].[CH3:37][S:38]([CH3:39])=[O:40].[Cl:28][c:29]1[n:30][cH:31][c:32]([Cl:36])[c:33]([Cl:35])[n:34]1.[K+:26].[K+:27].[NH2:1][c:2]1[cH:3][cH:4][c:5]([N:13]2[CH2:14][CH2:15][N:16]([CH:19]([CH3:20])[CH3:21])[CH2:17][CH2:18]2)[c:6]2[c:10]1[C:9](=[O:11])[N:8]([CH3:12])[CH2:7]2>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([N:13]2[CH2:14][CH2:15][N:16]([CH:19]([CH3:20])[CH3:21])[CH2:17][CH2:18]2)[c:6]2[c:10]1[C:9](=[O:11])[N:8]([CH3:12])[CH2:7]2)[c:33]1[c:32]([Cl:36])[cH:31][n:30][c:29]([Cl:28])[n:34]1

Participants

6

Reactant 5

HCID 679Dimethyl SulfoxideHCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 2372592,4,5-TrichloropyrimidineHCID 598492047-amino-2-methyl-4-(4-propan-2-ylpiperazin-1-yl)-3H-isoindol-1-one

Product 1

HCID 598492227-(2,5-Dichloropyrimidin-4-ylamino)-4-(4-isopropylpiperazin-1-yl)-2-methyl-2,3-dihydroisoindol-1-one

Sources & evidence

ORD record
ord-aee3f8af25984d19bebd4aedfda3b03e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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