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Sodium Ion → 4'-(3-Methylaminopropoxy)-3'-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphth-2-yl)biphenyl-4-carboxylic acid

HRID 102986
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반응식

HRID 102986 반응식
[CH3:3][NH:4][CH2:5][CH2:6][CH2:7][O:8][c:9]1[c:10](-[c:26]2[cH:27][c:28]3[c:33]([cH:34][cH:35]2)[C:32]([CH3:36])([CH3:37])[CH2:31][CH2:30][C:29]3([CH3:38])[CH3:39])[cH:11][c:12](-[c:15]2[cH:16][cH:17][c:18]([C:21](=[O:22])[O:23][CH2:24][CH3:25])[cH:19][cH:20]2)[cH:13][cH:14]1.[Na+:2].[O:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1.[OH-:1]>>[CH3:3][NH:4][CH2:5][CH2:6][CH2:7][O:8][c:9]1[c:10](-[c:26]2[cH:27][c:28]3[c:33]([cH:34][cH:35]2)[C:32]([CH3:36])([CH3:37])[CH2:31][CH2:30][C:29]3([CH3:38])[CH3:39])[cH:11][c:12](-[c:15]2[cH:16][cH:17][c:18]([C:21](=[O:22])[OH:23])[cH:19][cH:20]2)[cH:13][cH:14]1
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반응물 4

HCID 923Sodium IonHCID 961HydroxideHCID 8028TetrahydrofuranHCID 11375470Ethyl 4'-(3-methylaminopropoxy)-3'-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphth-2-yl)biphenyl-4-carboxylate

생성물 1

HCID 113858944'-(3-Methylaminopropoxy)-3'-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphth-2-yl)biphenyl-4-carboxylic acid

출처 및 근거

ORD 기록
ord-8e1681e0881d4e33b3a65aa2f0b7df36
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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