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Sodium Ion → 4-[3-Hydroxy-3-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthyl)-1-propynyl]benzenemethanol

HRID 168051
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HRID 168051 반응식
[C:1](=[O:2])([CH3:3])[O:4][CH2:5][c:6]1[cH:7][cH:8][c:9]([C:12]#[C:13][CH:14]([c:15]2[cH:16][c:17]3[c:22]([cH:23][cH:24]2)[C:21]([CH3:25])([CH3:26])[CH2:20][CH2:19][C:18]3([CH3:27])[CH3:28])[OH:29])[cH:10][cH:11]1.[CH2:30]1[O:31][CH2:32][CH2:33][CH2:34]1.[CH3:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH3:44].[Na+:36].[OH-:35].[OH2:37]>>[OH:4][CH2:5][c:6]1[cH:7][cH:8][c:9]([C:12]#[C:13][CH:14]([c:15]2[cH:16][c:17]3[c:22]([cH:23][cH:24]2)[C:21]([CH3:25])([CH3:26])[CH2:20][CH2:19][C:18]3([CH3:27])[CH3:28])[OH:29])[cH:10][cH:11]1
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반응물 6

HCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 8900HeptaneHCID 226194414-[3-Hydroxy-3-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthyl)-1-propynyl]benzyl acetate

생성물 1

HCID 54256982
4-[3-Hydroxy-3-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthyl)-1-propynyl]benzenemethanol

출처 및 근거

ORD 기록
ord-755e930cd1c14bdfb3bcb6417fd611bb
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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