Pyridine → 2-[2-(2-Dimethylaminomethyl-4-thiazolylmethylthio)ethyl]amino-5-[2-(3-pyridyl)ethyl]-4-pyrimidone

반응식

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

참가 물질

반응물 3

HCID 1049Pyridine

HCID 109773182-(Dimethylaminomethyl)-4-(2-aminoethylthiomethyl)thiazole

HCID 133735182-Methylthio-5-[2-(3-pyridyl)ethyl]-4-pyrimidone

생성물 1

HCID 133735042-[2-(2-Dimethylaminomethyl-4-thiazolylmethylthio)ethyl]amino-5-[2-(3-pyridyl)ethyl]-4-pyrimidone

출처 및 근거

ORD 기록: ord-44ad47888595457aa33d8ca34c0ce905
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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