N,N-Diethylaniline → 3-Benzenesulphonyl-7-chloro-5-methoxymethyl-2-methylsulphanyl-pyrazolo[1,5-a]pyrimidine

반응식

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

참가 물질

반응물 3

HCID 7061N,N-Diethylaniline

HCID 24813Phosphorus oxychloride

HCID 178494547HCID 178494547, 화합물

생성물 1

HCID 212549933-Benzenesulphonyl-7-chloro-5-methoxymethyl-2-methylsulphanyl-pyrazolo[1,5-a]pyrimidine

출처 및 근거

ORD 기록: ord-eb4cafb5325741bf9e848f6650c9fdf7
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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