1-Adamantanecarbonyl chloride → N-[1-(3-Cyclopentyl-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propyl]-1-adamantanecarboxamide

반응식

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

참가 물질

반응물 2

HCID 989151-Adamantanecarbonyl chloride

HCID 1355940676-(1-aminopropyl)-3-cyclopentyl-1,2,4-triazin-5(4H)-one

생성물 1

HCID 135752600N-[1-(3-Cyclopentyl-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propyl]-1-adamantanecarboxamide

출처 및 근거

ORD 기록: ord-9870bebbc7614985845b0b52e668b41e
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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