Ethanol → N-{3-[3-(3-Methyl-4-oxo-1-n-propyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-n-propoxyphenyl]-propanoyl}morpholine

반응식

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

참가 물질

반응물 2

HCID 702Ethanol

HCID 1361386773-methyl-6-[5-(3-morpholin-4-yl-3-oxoprop-1-enyl)-2-propoxyphenyl]-1-propyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

생성물 1

HCID 135453502N-{3-[3-(3-Methyl-4-oxo-1-n-propyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-n-propoxyphenyl]-propanoyl}morpholine

출처 및 근거

ORD 기록: ord-7632f426db964c1fa3c8975f8fd448df
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

반응 노트

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