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

반응식

[CH3:33][O:34][CH2:35][CH2:36][O:37][CH3:38].[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.[c:23]1([NH:29][CH2:30][CH2:31][NH2:32])[cH:24][cH:25][cH:26][cH:27][cH:28]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:32][CH2:31][CH2:30][NH:29][c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[n:7]1

참가 물질

반응물 3

HCID 80711,2-Dimethoxyethane

HCID 742701,2-Ethanediamine, N1-phenyl-

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

생성물 1

HCID 185074712-Amino-4-(4,5-dihydro-furan-2-yl)-6-(2-phenylamino-ethylamino)-pyrimidine-5-carbonitrile

출처 및 근거

ORD 기록: ord-d435662a214a4e558281cfaf3f2e94ba
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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