Thionyl Chloride → 5-(4-Chloro-phenyl)-6-(2,4-dichloro-phenyl)-1-[4-(4-methyl-piperazine-1-carbonyl)-phenyl]-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one

HRID 316026Notes

Reaction equation

HRID 316026 reaction equation
[CH3:35][N:36]1[CH2:37][CH2:38][NH:39][CH2:40][CH2:41]1.[Cl:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[c:9](-[c:27]3[c:28]([Cl:34])[cH:29][c:30]([Cl:33])[cH:31][cH:32]3)[n:10][c:11]3[c:12]([c:13]2=[O:14])[cH:15][n:16][n:17]3-[c:18]2[cH:19][cH:20][c:21]([C:22](=[O:23])[OH:24])[cH:25][cH:26]2)[cH:6][cH:7]1.[S:42]([Cl:43])([Cl:44])=[O:45]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[c:9](-[c:27]3[c:28]([Cl:34])[cH:29][c:30]([Cl:33])[cH:31][cH:32]3)[n:10][c:11]3[c:12]([c:13]2=[O:14])[cH:15][n:16][n:17]3-[c:18]2[cH:19][cH:20][c:21]([C:22](=[O:24])[N:39]3[CH2:38][CH2:37][N:36]([CH3:35])[CH2:41][CH2:40]3)[cH:25][cH:26]2)[cH:6][cH:7]1

Participants

4

Reactant 3

HCID 24386Thionyl ChlorideHCID 531671-MethylpiperazineHCID 578980584-[5-(4-Chloro-phenyl)-6-(2,4-dichloro-phenyl)-4-oxo-4,5-dihydro-pyrazolo[3,4-d]pyrimidin-1-yl]-benzoic acid

Product 1

HCID 578979085-(4-Chloro-phenyl)-6-(2,4-dichloro-phenyl)-1-[4-(4-methyl-piperazine-1-carbonyl)-phenyl]-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one

Sources & evidence

ORD record
ord-fa9f03ff78bb44ee95f1281fe4553bad
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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