Pyridine → 2-[4-(N-propyl-N-pyrid-2-ylamino)butylamino]-5-cyclohexylmethyl pyrimid-4-one

반응식

[CH3:16][S:17][c:18]1[n:19][cH:20][c:21]([CH2:25][CH:26]2[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31]2)[c:22](=[O:24])[nH:23]1.[NH2:1][CH2:2][CH2:3][CH2:4][CH2:5][N:6]([CH2:7][CH2:8][CH3:9])[c:10]1[n:11][cH:12][cH:13][cH:14][cH:15]1.[cH:32]1[cH:33][cH:34][n:35][cH:36][cH:37]1>>[NH:1]([CH2:2][CH2:3][CH2:4][CH2:5][N:6]([CH2:7][CH2:8][CH3:9])[c:10]1[n:11][cH:12][cH:13][cH:14][cH:15]1)[c:18]1[n:19][cH:20][c:21]([CH2:25][CH:26]2[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31]2)[c:22](=[O:24])[nH:23]1

참가 물질

반응물 3

HCID 1049Pyridine

HCID 127838372-Methylthio-5-cyclohexylmethylpyrimid-4-one

HCID 201866172-[N-(4-aminobutyl)-N-propylamino]pyridine

생성물 1

HCID 202628992-[4-(N-propyl-N-pyrid-2-ylamino)butylamino]-5-cyclohexylmethyl pyrimid-4-one

출처 및 근거

ORD 기록: ord-bf76af86bc7940d1b4c5140b1a99e5bb
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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