1,2-Dimethoxyethane → 2-Amino-4-(4,5-dihydro-furan-2-yl)-6-(4-trifluoromethyl-benzylamino)-pyrimidine-5-carbonitrile

반응식

[CH3:35][O:36][CH2:37][CH2:38][O:39][CH3:40].[F:23][C:24]([c:25]1[cH:26][cH:27][c:28]([CH2:29][NH2:30])[cH:31][cH:32]1)([F:33])[F:34].[NH2:1][c:2]1[n:3][c:4]([C:18]2=[CH:22][CH2:21][CH2:20][O:19]2)[c:5]([C:16]#[N:17])[c:6]([O:8][S:9]([C:10]([F:11])([F:12])[F:13])(=[O:14])=[O:15])[n:7]1>>[NH2:1][c:2]1[n:3][c:4]([C:18]2=[CH:22][CH2:21][CH2:20][O:19]2)[c:5]([C:16]#[N:17])[c:6]([NH:30][CH2:29][c:28]2[cH:27][cH:26][c:25]([C:24]([F:23])([F:33])[F:34])[cH:32][cH:31]2)[n:7]1

참가 물질

반응물 3

HCID 80711,2-Dimethoxyethane

HCID 768044-(Trifluoromethyl)benzylamine

HCID 86583757Trifluoromethanesulfonic acid 2-amino-5-cyano-6-(4,5-dihydro-furan-2-yl)-pyrimidin-4-yl ester

생성물 1

HCID 185076622-Amino-4-(4,5-dihydro-furan-2-yl)-6-(4-trifluoromethyl-benzylamino)-pyrimidine-5-carbonitrile

출처 및 근거

ORD 기록: ord-7b659eff5ae840e28bf7fd51f5b98555
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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