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

HRID 2336290
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HRID 2336290 반응식
[CH2:3]([CH2:4][CH3:5])[NH:6][CH2:7][CH2:8][CH2:9][O:10][c:11]1[c:12](-[c:28]2[cH:29][c:30]3[c:35]([cH:36][cH:37]2)[C:34]([CH3:38])([CH3:39])[CH2:33][CH2:32][C:31]3([CH3:40])[CH3:41])[cH:13][c:14](-[c:17]2[cH:18][cH:19][c:20]([C:23](=[O:24])[O:25][CH2:26][CH3:27])[cH:21][cH:22]2)[cH:15][cH:16]1.[Na+:2].[O:42]1[CH2:43][CH2:44][CH2:45][CH2:46]1.[OH-:1]>>[CH2:3]([CH2:4][CH3:5])[NH:6][CH2:7][CH2:8][CH2:9][O:10][c:11]1[c:12](-[c:28]2[cH:29][c:30]3[c:35]([cH:36][cH:37]2)[C:34]([CH3:38])([CH3:39])[CH2:33][CH2:32][C:31]3([CH3:40])[CH3:41])[cH:13][c:14](-[c:17]2[cH:18][cH:19][c:20]([C:23](=[O:24])[OH:25])[cH:21][cH:22]2)[cH:15][cH:16]1
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반응물 4

HCID 923Sodium IonHCID 961HydroxideHCID 8028TetrahydrofuranHCID 11455315Ethyl 4'-(3-propylaminopropoxy)-3'-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphth-2-yl)biphenyl-4-carboxylate

생성물 1

HCID 113754694'-(3-Propylaminopropoxy)-3'-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphth-2-yl)biphenyl-4-carboxylic acid

출처 및 근거

ORD 기록
ord-4c869002637243d7acee8ce4e693fe74
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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