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Ethanol → 4-{[2-Ethyl-1-(5-methoxy-3-methyl-1-benzofuran-2-yl)butyl]amino}benzoic acid

HRID 1221974
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인쇄 미리보기

반응식

HRID 1221974 반응식
[CH2:1]([CH3:2])[CH:3]([CH:4]([c:5]1[o:6][c:7]2[c:8]([c:9]1[CH3:10])[cH:11][c:12]([O:15][CH3:16])[cH:13][cH:14]2)[NH:17][c:18]1[cH:19][cH:20][c:21]([C:22](=[O:23])[O:24][CH3:25])[cH:26][cH:27]1)[CH2:28][CH3:29].[CH3:37][CH2:38][OH:39].[Na+:36].[O:30]1[CH2:31][CH2:32][CH2:33][CH2:34]1.[OH-:35]>>[CH2:1]([CH3:2])[CH:3]([CH:4]([c:5]1[o:6][c:7]2[c:8]([c:9]1[CH3:10])[cH:11][c:12]([O:15][CH3:16])[cH:13][cH:14]2)[NH:17][c:18]1[cH:19][cH:20][c:21]([C:22](=[O:23])[OH:24])[cH:26][cH:27]1)[CH2:28][CH3:29]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 702EthanolHCID 923Sodium IonHCID 961HydroxideHCID 8028TetrahydrofuranHCID 66778440Methyl 4-{[2-ethyl-1-(5-methoxy-3-methyl-1-benzofuran-2-yl)butyl]amino}benzoate

생성물 1

HCID 667775094-{[2-Ethyl-1-(5-methoxy-3-methyl-1-benzofuran-2-yl)butyl]amino}benzoic acid

출처 및 근거

ORD 기록
ord-ed1e9956c7ef4f819fc83f37e61dadc6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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