Methanol → 6-[(2-chlorophenyl)methyl]-7-[2-(1-phenylethylamino)pyrimidin-4-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one

HRID 2339004Notes

Reaction equation

HRID 2339004 reaction equation
[CH3:28][CH:29]([c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)[NH2:36].[CH3:37][N:38]1[CH2:39][CH2:40][CH2:41][C:42]1=[O:43].[CH3:44][OH:45].[Cl:1][c:2]1[c:3]([CH2:4][c:5]2[c:6](-[c:14]3[n:15][c:16]([S:20]([CH3:21])(=[O:22])=[O:23])[n:17][cH:18][cH:19]3)[n:7]3[n:8]([c:12]2=[O:13])[CH2:9][CH2:10][CH2:11]3)[cH:24][cH:25][cH:26][cH:27]1>>[Cl:1][c:2]1[c:3]([CH2:4][c:5]2[c:6](-[c:14]3[n:15][c:16]([NH:36][CH:29]([CH3:28])[c:30]4[cH:31][cH:32][cH:33][cH:34][cH:35]4)[n:17][cH:18][cH:19]3)[n:7]3[n:8]([c:12]2=[O:13])[CH2:9][CH2:10][CH2:11]3)[cH:24][cH:25][cH:26][cH:27]1

Participants

5

Reactant 4

HCID 887MethanolHCID 74081-PhenethylamineHCID 13387N-methyl-2-pyrrolidoneHCID 574380742-(2-chlorobenzyl)-3-(2-methanesulfonyl-pyrimidin-4-yl)-6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-1-one

Product 1

HCID 688239876-[(2-chlorophenyl)methyl]-7-[2-(1-phenylethylamino)pyrimidin-4-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one

Sources & evidence

ORD record
ord-9d7c94787b8646cd9a3d4bf5fa8fedc1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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