Ethanol → 1-(3-phenyl-3,4-dihydro-2H-1-benzopyrane-7-yloxy)-3-(1-methylethylamino)-2-propanol

반응식

[CH3:22][CH:23]([CH3:24])[NH2:25].[CH3:26][CH2:27][OH:28].[O:1]1[CH2:2][CH:3]1[CH2:4][O:5][c:6]1[cH:7][c:8]2[c:9]([cH:20][cH:21]1)[CH2:10][CH:11]([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[CH2:12][O:13]2>>[OH:1][CH:3]([CH2:2][NH:25][CH:23]([CH3:22])[CH3:24])[CH2:4][O:5][c:6]1[cH:7][c:8]2[c:9]([cH:20][cH:21]1)[CH2:10][CH:11]([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[CH2:12][O:13]2

참가 물질

반응물 3

HCID 702Ethanol

HCID 6363Isopropylamine

HCID 20496759HCID 20496759, 화합물

생성물 1

HCID 138515081-(3-phenyl-3,4-dihydro-2H-1-benzopyrane-7-yloxy)-3-(1-methylethylamino)-2-propanol

출처 및 근거

ORD 기록: ord-1b1e98cd487249bcbb994ee3402cad3f
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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