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Sodium Ion → 5-(4-(1-hydroxyethyl)pyridin-3-yl)-3-methylbenzo[d]oxazol-2(3H)-one

HRID 2139539
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인쇄 미리보기

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HRID 2139539 반응식
[Br:1][c:2]1[cH:3][n:4][cH:5][cH:6][c:7]1[CH:8]([CH3:9])[OH:10].[CH2:37]1[O:38][CH2:39][CH2:40][O:41][CH2:42]1.[CH3:11][n:12]1[c:13](=[O:30])[o:14][c:15]2[c:16]1[cH:17][c:18]([B:21]1[O:22][C:23]([CH3:24])([CH3:25])[C:26]([CH3:27])([CH3:28])[O:29]1)[cH:19][cH:20]2.[Na+:31].[Na+:32].[O-:33][C:34](=[O:35])[O-:36]>>[c:2]1(-[c:18]2[cH:17][c:16]3[n:12]([CH3:11])[c:13](=[O:30])[o:14][c:15]3[cH:20][cH:19]2)[cH:3][n:4][cH:5][cH:6][c:7]1[CH:8]([CH3:9])[OH:10]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 923Sodium Ion2회HCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 595350693-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo(d)oxazol-2(3H)-oneHCID 667978531-(3-Bromopyridin-4-yl)ethanol

생성물 1

HCID 667873455-(4-(1-hydroxyethyl)pyridin-3-yl)-3-methylbenzo[d]oxazol-2(3H)-one

출처 및 근거

ORD 기록
ord-92993fdabb644c2eaec5b902d011a5b6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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