Dimethyl Sulfoxide → (7RS,9aRS)-[2-(7-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-octahydro-pyrido[1,2-a]pyrazin-7-yl]-methanol

반응식

[CH2:17]1[CH:18]2[N:19]([CH2:20][CH2:21][NH:22]1)[CH2:23][CH:24]([CH2:27][OH:28])[CH2:25][CH2:26]2.[CH3:29][S:30]([CH3:31])=[O:32].[Cl:1][c:2]1[n:3][c:4]2[n:5]([c:6]([NH2:8])[cH:7]1)[n:9][c:10](-[c:12]1[o:13][cH:14][cH:15][cH:16]1)[n:11]2>>[c:2]1([N:22]2[CH2:17][CH:18]3[N:19]([CH2:20][CH2:21]2)[CH2:23][CH:24]([CH2:27][OH:28])[CH2:25][CH2:26]3)[n:3][c:4]2[n:5]([c:6]([NH2:8])[cH:7]1)[n:9][c:10](-[c:12]1[o:13][cH:14][cH:15][cH:16]1)[n:11]2

참가 물질

반응물 3

HCID 679Dimethyl Sulfoxide

HCID 12985539(Octahydro-1H-pyrido[1,2-A]pyrazin-7-YL)methanol

HCID 713667695-Chloro-2-(furan-2-YL)-[1,2,4]triazolo[1,5-A]pyrimidin-7-amine

생성물 1

HCID 11773072(7RS,9aRS)-[2-(7-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-octahydro-pyrido[1,2-a]pyrazin-7-yl]-methanol

출처 및 근거

ORD 기록: ord-0127337ff8fa479ea61a2a9eace3e729
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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