Dimethyl Sulfoxide → trans-N1-(5-chloro-4-(3-methyl-6-((tetrahydro-2H-pyran-4-yl)methyl)aminopyrazin-2-yl)pyridin-2-yl)cyclohexane-1,4-diamine

반응식

[CH3:32][S:33]([CH3:34])=[O:35].[CH:24]1([NH2:31])[CH2:25][CH2:26][CH:27]([NH2:30])[CH2:28][CH2:29]1.[Cl:1][c:2]1[c:3](-[c:9]2[c:10]([CH3:23])[n:11][cH:12][c:13]([NH:15][CH2:16][CH:17]3[CH2:18][CH2:19][O:20][CH2:21][CH2:22]3)[n:14]2)[cH:4][c:5]([F:8])[n:6][cH:7]1>>[Cl:1][c:2]1[c:3](-[c:9]2[c:10]([CH3:23])[n:11][cH:12][c:13]([NH:15][CH2:16][CH:17]3[CH2:18][CH2:19][O:20][CH2:21][CH2:22]3)[n:14]2)[cH:4][c:5]([NH:30][CH:27]2[CH2:26][CH2:25][CH:24]([NH2:31])[CH2:29][CH2:28]2)[n:6][cH:7]1

참가 물질

반응물 3

HCID 679Dimethyl Sulfoxide

HCID 183741,4-Diaminocyclohexane

HCID 669368756-(5-chloro-2-fluoropyridin-4-yl)-5-methyl-N-((tetrahydro-2H-pyran-4-yl)methyl) pyrazin-2-amine

생성물 1

HCID 58127086trans-N1-(5-chloro-4-(3-methyl-6-((tetrahydro-2H-pyran-4-yl)methyl)aminopyrazin-2-yl)pyridin-2-yl)cyclohexane-1,4-diamine

출처 및 근거

ORD 기록: ord-ccbbe9c4f78e407b844937ec3353fd63
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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