4-Aminotricyclo[3.3.1.13,7]decane-1-methanol → 4-{2-[3-(5-Hydroxymethyl-adamantan-2-ylcarbamoyl)-phenoxy]-ethyl}-piperidine-1-carboxylic acid isopropylamide

반응식

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

참가 물질

반응물 2

HCID 579281674-Aminotricyclo[3.3.1.13,7]decane-1-methanol

HCID 669297103-[2-(1-Isopropylcarbamoyl-piperidin-4-yl)ethoxy]-benzoic acid

생성물 1

HCID 251089914-{2-[3-(5-Hydroxymethyl-adamantan-2-ylcarbamoyl)-phenoxy]-ethyl}-piperidine-1-carboxylic acid isopropylamide

출처 및 근거

ORD 기록: ord-4cdd058594c6440281c6c7ffc5a0a202
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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