4-Piperidinemethanol → 2-[2-Ethoxy-5-(4-hydroxymethylpiperidine-1-sulphonyl)-phenyl]-5,7-dimethyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one

반응식

[CH2:9]([CH3:10])[O:11][c:12]1[c:13](-[c:29]2[n:30][n:31]3[c:32]([c:33](=[O:35])[nH:34]2)[c:36]([CH3:40])[n:37][c:38]3[CH3:39])[cH:14][c:15]([S:18](=[O:19])(=[O:20])[N:21]2[CH2:22][CH2:23][CH:24]([OH:25])[CH2:26][CH:27]2[CH3:28])[cH:16][cH:17]1.[OH:1][CH2:2][CH:3]1[CH2:4][CH2:5][NH:6][CH2:7][CH2:8]1>>[OH:1][CH2:2][CH:3]1[CH2:4][CH2:5][N:6]([S:18]([c:15]2[cH:14][c:13](-[c:29]3[n:30][n:31]4[c:32]([c:33](=[O:35])[nH:34]3)[c:36]([CH3:40])[n:37][c:38]4[CH3:39])[c:12]([O:11][CH2:9][CH3:10])[cH:17][cH:16]2)(=[O:19])=[O:20])[CH2:7][CH2:8]1

참가 물질

반응물 2

HCID 4207714-Piperidinemethanol

HCID 1363763952-[2-ethoxy-5-(4-hydroxy-methylpiperidine-1-sulphonyl)-phenyl]-5,7-dimethyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one

생성물 1

HCID 1355155872-[2-Ethoxy-5-(4-hydroxymethylpiperidine-1-sulphonyl)-phenyl]-5,7-dimethyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one

출처 및 근거

ORD 기록: ord-4981c0248a324ee39c7438c70e4e50d6
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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