Ethanolamine → 2-[9-Ethyl-6-(3-fluoro-phenylamino)-9H-purin-2-ylamino]-ethanol

반응식

[CH3:25][CH2:26][O:27][C:28](=[O:29])[CH3:30].[Cl:1][c:2]1[n:3][c:4]([NH:13][c:14]2[cH:15][c:16]([F:20])[cH:17][cH:18][cH:19]2)[c:5]2[n:6][cH:7][n:8]([CH2:11][CH3:12])[c:9]2[n:10]1.[NH2:21][CH2:22][CH2:23][OH:24]>>[c:2]1([NH:21][CH2:22][CH2:23][OH:24])[n:3][c:4]([NH:13][c:14]2[cH:15][c:16]([F:20])[cH:17][cH:18][cH:19]2)[c:5]2[n:6][cH:7][n:8]([CH2:11][CH3:12])[c:9]2[n:10]1

참가 물질

반응물 3

HCID 700Ethanolamine

HCID 8857Ethyl Acetate

HCID 219883192-chloro-9-ethyl-6-(3-fluoro-phenyl-amino)-9H-purine

생성물 1

HCID 219882472-[9-Ethyl-6-(3-fluoro-phenylamino)-9H-purin-2-ylamino]-ethanol

출처 및 근거

ORD 기록: ord-4cf1e75b37a34ffd8914dbb8ef006182
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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