Ammonium → 6-(4-Acetyl-phenyl)-5-(4-chloro-phenyl)-1-phenyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one

HRID 141577Notes

Reaction equation

HRID 141577 reaction equation
[CH3:1][O:2][C:3]([c:4]1[cH:5][cH:6][c:7](-[c:10]2[n:11](-[c:26]3[cH:27][cH:28][c:29]([Cl:32])[cH:30][cH:31]3)[c:12](=[O:25])[c:13]3[c:14]([n:15]2)[n:16](-[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[n:17][cH:18]3)[cH:8][cH:9]1)=[O:33].[CH3:36][OH:37].[Cl-:38].[NH4+:39].[Na+:35].[O:40]1[CH2:41][CH2:42][O:43][CH2:44][CH2:45]1.[OH-:34]>>[O:2]=[C:3]([c:4]1[cH:5][cH:6][c:7](-[c:10]2[n:11](-[c:26]3[cH:27][cH:28][c:29]([Cl:32])[cH:30][cH:31]3)[c:12](=[O:25])[c:13]3[c:14]([n:15]2)[n:16](-[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[n:17][cH:18]3)[cH:8][cH:9]1)[CH3:36]

Participants

8

Reactant 7

HCID 223AmmoniumHCID 312ChlorideHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 312751,4-DioxaneHCID 578981284-[5-(4-chloro-phenyl)-4-oxo-1-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]-benzoic acid methyl ester

Product 1

HCID 116765606-(4-Acetyl-phenyl)-5-(4-chloro-phenyl)-1-phenyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one

Sources & evidence

ORD record
ord-d4bfc607a9074d14900fedc15693d9d4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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