Dichloromethane → 1-[2-(1-Adamantyl)ethyl]-3-[3-(4-pyridyl)propyl]hexahydropyrimidin-2-one

반응식

[C:1]12([CH2:11][CH2:12][NH:13][CH2:14][CH2:15][CH2:16][NH:17][CH2:18][CH2:19][CH2:20][c:21]3[cH:22][cH:23][n:24][cH:25][cH:26]3)[CH2:2][CH:3]3[CH2:4][CH:5]([CH2:6][CH:7]([CH2:8]1)[CH2:9]3)[CH2:10]2.[C:27](=[O:28])([n:29]1[cH:30][cH:31][n:32][cH:33]1)[n:34]1[cH:35][cH:36][n:37][cH:38]1.[CH2:39]([Cl:40])[Cl:41]>>[C:1]12([CH2:11][CH2:12][N:13]3[CH2:14][CH2:15][CH2:16][N:17]([CH2:18][CH2:19][CH2:20][c:21]4[cH:22][cH:23][n:24][cH:25][cH:26]4)[C:27]3=[O:28])[CH2:2][CH:3]3[CH2:4][CH:5]([CH2:6][CH:7]([CH2:8]1)[CH2:9]3)[CH2:10]2

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 682631,1'-Carbonyldiimidazole

HCID 21974043N-[2-(1-adamantyl)ethyl]-N'-[3-(4-pyridyl)propyl]-1,3-propanediamine

생성물 1

HCID 219739651-[2-(1-Adamantyl)ethyl]-3-[3-(4-pyridyl)propyl]hexahydropyrimidin-2-one

출처 및 근거

ORD 기록: ord-6f8ee757089d416f94ccc971bc0458e1
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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