5-Hydroxytetrahydropyrimidine-2(1H)-thione → (2-Sulfanylidene-1,3-diazinan-5-yl) 2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetate

반응식

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

참가 물질

반응물 2

HCID 35746395-Hydroxytetrahydropyrimidine-2(1H)-thione

HCID 99547772-(3,3-Difluorocyclopentyl)-2-hydroxy-2-phenylacetic acid

생성물 1

HCID 22594553(2-Sulfanylidene-1,3-diazinan-5-yl) 2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetate

출처 및 근거

ORD 기록: ord-007ab64d66b848b49d7f8d7a9cd8ac4f
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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