Isopropanol → 7-({2-[(4-Methoxybenzyl)amino]pyridin-4-yl}oxy)-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid

반응식

[CH2:36]1[CH2:37][CH:38]=[CH:39][CH2:40][CH2:41]1.[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][NH:8][c:9]2[n+:10]([O-:29])[cH:11][cH:12][c:13]([O:15][c:16]3[cH:17][cH:18][c:19]4[c:24]([cH:25]3)[CH2:23][CH:22]([C:26](=[O:27])[OH:28])[CH2:21][CH2:20]4)[cH:14]2)[cH:30][cH:31]1.[CH:32]([OH:33])([CH3:34])[CH3:35]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][NH:8][c:9]2[n:10][cH:11][cH:12][c:13]([O:15][c:16]3[cH:17][cH:18][c:19]4[c:24]([cH:25]3)[CH2:23][CH:22]([C:26](=[O:27])[OH:28])[CH2:21][CH2:20]4)[cH:14]2)[cH:30][cH:31]1

참가 물질

반응물 3

HCID 3776Isopropanol

HCID 8079Cyclohexene

HCID 178490963HCID 178490963, 화합물

생성물 1

HCID 589023857-({2-[(4-Methoxybenzyl)amino]pyridin-4-yl}oxy)-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid

출처 및 근거

ORD 기록: ord-19e7abdc4c134a689b2d0bc9d1263f50
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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