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Acetic Acid → Ethyl 4,5,6,7-tetramethoxy-2-[4-(4-methoxycarbonylphenoxy)butyl]-1-oxo-2-indancarboxylate

HRID 178979
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HRID 178979 반응식
[Br:6][c:7]1[c:8]([O:46][CH3:47])[c:9]([O:44][CH3:45])[c:10]([O:42][CH3:43])[c:11]([O:40][CH3:41])[c:12]1[CH2:13][C:14]([C:15](=[O:16])[O:17][CH2:18][CH3:19])([CH2:20][CH2:21][CH2:22][CH2:23][O:24][c:25]1[cH:26][cH:27][c:28]([C:31](=[O:32])[O:33][CH3:34])[cH:29][cH:30]1)[C:35]([O:36][CH2:37][CH3:38])=[O:39].[C:52](=[O:53])([OH:54])[O-:55].[CH2:1]([Li:2])[CH2:3][CH2:4][CH3:5].[CH2:57]1[O:58][CH2:59][CH2:60][CH2:61]1.[CH3:48][C:49]([OH:50])=[O:51].[CH3:62][CH2:63][CH2:64][CH2:65][CH2:66][CH3:67].[Na+:56]>>[c:7]12[c:8]([O:46][CH3:47])[c:9]([O:44][CH3:45])[c:10]([O:42][CH3:43])[c:11]([O:40][CH3:41])[c:12]1[CH2:13][C:14]([C:15](=[O:16])[O:17][CH2:18][CH3:19])([CH2:20][CH2:21][CH2:22][CH2:23][O:24][c:25]1[cH:26][cH:27][c:28]([C:31](=[O:32])[O:33][CH3:34])[cH:29][cH:30]1)[C:35]2=[O:50]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium IonHCID 8028TetrahydrofuranHCID 8058HexaneHCID 18348654Ethyl 2-(6-bromo-2,3,4,5-tetramethoxybenzyl)-2-ethoxycarbonyl-6-(4-methoxycarbonylphenoxy)hexanoateHCID 178418339Butyllithium

생성물

1
HCID 18348656Ethyl 4,5,6,7-tetramethoxy-2-[4-(4-methoxycarbonylphenoxy)butyl]-1-oxo-2-indancarboxylate

출처 및 근거

ORD 기록
ord-e7d4a8bacbc146d78b4a158b7a2588bb
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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