Toluene → 4-Chloro-5-(4-methoxyphenyl)furo[2,3-d]pyrimidine

Reaction equation

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

Participants

Reactant 4

HCID 1140Toluene

HCID 7061N,N-Diethylaniline

HCID 24813Phosphorus oxychloride

HCID 580169685-(4-Methoxyphenyl)furo[2,3-d]pyrimidin-4(3H)-one

Product 1

HCID 580168144-Chloro-5-(4-methoxyphenyl)furo[2,3-d]pyrimidine

Sources & evidence

ORD record: ord-ce6793db6b1d41a7889c6f09c9b3ad55
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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