Toluene → 1-(2-bromo-6-chlorophenyl)-4-chloro-1H-pyrazolo[3,4-d]pyrimidine

Reaction equation

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

Participants

Reactant 5

HCID 1140Toluene

HCID 6342Acetonitrile

HCID 24813Phosphorus oxychloride

HCID 81531Diisopropylethylamine

HCID 178517920HCID 178517920, compound

Product 1

HCID 574386801-(2-bromo-6-chlorophenyl)-4-chloro-1H-pyrazolo[3,4-d]pyrimidine

Sources & evidence

ORD record: ord-9be7ae74703443c3ae23994f205d13b2
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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