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Ethanol → Methyl 7-(4-ethylphenyl)-1,1-dioxo-2,3-dihydro-1-benzothiepine-4-carboxylate

HRID 1538464
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인쇄 미리보기

반응식

HRID 1538464 반응식
[B:19]([O-:20])([O-:29])[O:30][c:21]1[cH:22][cH:23][c:24]([CH2:27][CH3:28])[cH:25][cH:26]1.[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:18]1)[CH:7]=[C:8]([C:14](=[O:15])[O:16][CH3:17])[CH2:9][CH2:10][S:11]2(=[O:12])=[O:13].[C:31](=[O:32])([O-:33])[O-:34].[CH2:38]([OH:39])[CH3:40].[K+:35].[K+:36].[OH2:37].[c:41]1([CH3:42])[cH:43][cH:44][cH:45][cH:46][cH:47]1>>[c:2]1(-[c:21]2[cH:22][cH:23][c:24]([CH2:27][CH3:28])[cH:25][cH:26]2)[cH:3][cH:4][c:5]2[c:6]([cH:18]1)[CH:7]=[C:8]([C:14](=[O:15])[O:16][CH3:17])[CH2:9][CH2:10][S:11]2(=[O:12])=[O:13]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 702EthanolHCID 813Potassium Cation2회HCID 962WaterHCID 1140TolueneHCID 19660Carbonate IonHCID 21995732Methyl 7-bromo-1,1-dioxo-2,3-dihydro-1-benzothiepine-4-carboxylateHCID 867561644-Ethylphenyl borate

생성물 1

HCID 21995723Methyl 7-(4-ethylphenyl)-1,1-dioxo-2,3-dihydro-1-benzothiepine-4-carboxylate

출처 및 근거

ORD 기록
ord-c993a29c0f3d458f8accf2a80014a82c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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