Pentylamine → Methyl 4-((2-amino-4-methyl-6-(pentylamino)pyrimidin-5-yl)methyl)-3-fluorobenzoate

반응식

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

참가 물질

반응물 3

HCID 8060Pentylamine

HCID 312751,4-Dioxane

HCID 86633399Methyl 4-((2-amino-4-chloro-6-methylpyrimidin-5-yl)methyl)-3-fluorobenzoate

생성물 1

HCID 66819400Methyl 4-((2-amino-4-methyl-6-(pentylamino)pyrimidin-5-yl)methyl)-3-fluorobenzoate

출처 및 근거

ORD 기록: ord-55155fda5fc04ff2b48c8e017a7a978d
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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