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Acetic Acid → ethyl 5-{(2RS,3SR)-3-hydroxy-2-(4-nitrophenyl)butyl}-2-furancarboxylate

HRID 86876
노트
인쇄 미리보기

반응식

HRID 86876 반응식
[CH3:40][C:41](=[O:42])[OH:43].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[CH:25]([BH-:26]([CH:27]([CH2:28][CH3:29])[CH3:30])[CH:31]([CH2:32][CH3:33])[CH3:34])([CH2:35][CH3:36])[CH3:37].[Li+:38].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([CH:10]([CH2:11][c:12]2[cH:13][cH:14][c:15]([C:17](=[O:18])[O:19][CH2:20][CH3:21])[o:16]2)[C:22]([CH3:23])=[O:24])[cH:8][cH:9]1.[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1.[OH2:39]>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([CH:10]([CH2:11][c:12]2[cH:13][cH:14][c:15]([C:17](=[O:18])[O:19][CH2:20][CH3:21])[o:16]2)[CH:22]([CH3:23])[OH:24])[cH:8][cH:9]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 176Acetic AcidHCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 28486Lithium CationHCID 2723990Tri(butan-2-yl)boranuideHCID 15458175Ethyl 5-(2-(4-nitrophenyl)-3-oxobutyl)-2-furancarboxylate

생성물 1

HCID 19364506ethyl 5-{(2RS,3SR)-3-hydroxy-2-(4-nitrophenyl)butyl}-2-furancarboxylate

출처 및 근거

ORD 기록
ord-7071dae11f0c4d809d73378c898fdb02
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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