Toluene → 2-(dimethylamino)-6-(4-fluorophenyl)-7-[2-(1-phenylethylamino)pyrimidin-4-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one

HRID 185660Notes

Reaction equation

HRID 185660 reaction equation
[CH3:1][N:2]([CH:3]1[CH2:4][n:5]2[n:6]([c:8](=[O:28])[c:9](-[c:21]3[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]3)[c:10]2-[c:11]2[n:12][c:13]([S:17]([CH3:18])(=[O:19])=[O:20])[n:14][cH:15][cH:16]2)[CH2:7]1)[CH3:29].[CH3:30][CH:31]([c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)[NH2:38].[CH3:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1>>[CH3:1][N:2]([CH:3]1[CH2:4][n:5]2[n:6]([c:8](=[O:28])[c:9](-[c:21]3[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]3)[c:10]2-[c:11]2[n:12][c:13]([NH:38][CH:31]([CH3:30])[c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[n:14][cH:15][cH:16]2)[CH2:7]1)[CH3:29]

Participants

4

Reactant 3

HCID 1140TolueneHCID 74081-PhenethylamineHCID 219922086-dimethylamino-2-(4-fluorophenyl)-3-(2-methanesulfonyl-pyrimidin-4-yl)-6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-1-one

Product 1

HCID 219921792-(dimethylamino)-6-(4-fluorophenyl)-7-[2-(1-phenylethylamino)pyrimidin-4-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one

Sources & evidence

ORD record
ord-c82dfc9b3e25486090086895c68d1775
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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