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Ethanol → 6-[4-({[3-[2-(2,6-Dichlorophenyl)ethyl]-5-(1-methylethyl)-4-isoxazolyl]methyl}oxy)phenyl]-1-naphthalenecarboxylic acid

HRID 1219712
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반응식

HRID 1219712 반응식
[CH3:42][CH2:43][OH:44].[Cl:1][c:2]1[c:3]([CH2:9][CH2:10][c:11]2[n:12][o:13][c:14]([CH:39]([CH3:40])[CH3:41])[c:15]2[CH2:16][O:17][c:18]2[cH:19][cH:20][c:21](-[c:24]3[cH:25][c:26]4[cH:27][cH:28][cH:29][c:30]([C:34](=[O:35])[O:36][CH2:37][CH3:38])[c:31]4[cH:32][cH:33]3)[cH:22][cH:23]2)[c:4]([Cl:8])[cH:5][cH:6][cH:7]1.[Na+:46].[O:47]1[CH2:48][CH2:49][CH2:50][CH2:51]1.[OH-:45]>>[Cl:1][c:2]1[c:3]([CH2:9][CH2:10][c:11]2[n:12][o:13][c:14]([CH:39]([CH3:40])[CH3:41])[c:15]2[CH2:16][O:17][c:18]2[cH:19][cH:20][c:21](-[c:24]3[cH:25][c:26]4[cH:27][cH:28][cH:29][c:30]([C:34](=[O:35])[OH:36])[c:31]4[cH:32][cH:33]3)[cH:22][cH:23]2)[c:4]([Cl:8])[cH:5][cH:6][cH:7]1
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참가 물질

6

반응물 5

HCID 702EthanolHCID 923Sodium IonHCID 961HydroxideHCID 8028TetrahydrofuranHCID 59264854Ethyl 6-[4-({[3-[2-(2,6-dichlorophenyl)ethyl]-5-(1-methylethyl)-4-isoxazolyl]methyl}oxy)phenyl]-1-naphthalenecarboxylate

생성물 1

HCID 24739169
6-[4-({[3-[2-(2,6-Dichlorophenyl)ethyl]-5-(1-methylethyl)-4-isoxazolyl]methyl}oxy)phenyl]-1-naphthalenecarboxylic acid

출처 및 근거

ORD 기록
ord-45695bc565954766ab2528ee5ccced1a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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