Ethanol → 1-[4-(3-Chlorophenoxy)piperidin-1-yl]-3-[3-([1,2]oxazolo[5,4-b]pyridin-3-yl)phenoxy]propan-2-ol

반응식

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

참가 물질

반응물 3

HCID 702Ethanol

HCID 27353174-(3-Chlorophenoxy)piperidine

HCID 724658233-[3-(Oxiran-2-ylmethoxy)phenyl]-[1,2]oxazolo[5,4-b]pyridine

생성물 1

HCID 670127991-[4-(3-Chlorophenoxy)piperidin-1-yl]-3-[3-([1,2]oxazolo[5,4-b]pyridin-3-yl)phenoxy]propan-2-ol

출처 및 근거

ORD 기록: ord-124c7c1089814eafb9fb6d24b72feb8a
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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