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

HRID 197002
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인쇄 미리보기

반응식

HRID 197002 반응식
[B:19]([O-:20])([O-:33])[O:34][c:21]1[cH:22][cH:23][c:24]([N:27]2[CH2:28][CH2:29][O:30][CH2:31][CH2:32]2)[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:35](=[O:36])([O-:37])[O-:38].[CH2:43]([OH:44])[CH3:45].[K+:39].[K+:40].[OH2:41].[OH2:42].[c:46]1([CH3:47])[cH:48][cH:49][cH:50][cH:51][cH:52]1>>[c:2]1(-[c:21]2[cH:22][cH:23][c:24]([N:27]3[CH2:28][CH2:29][O:30][CH2:31][CH2:32]3)[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 962Water2회HCID 1140TolueneHCID 19660Carbonate IonHCID 21995732Methyl 7-bromo-1,1-dioxo-2,3-dihydro-1-benzothiepine-4-carboxylateHCID 867561794-Morpholinophenyl borate

생성물

1
HCID 21995678Methyl 7-(4-morpholinophenyl)-1,1-dioxo-2,3-dihydro-1-benzothiepine-4-carboxylate

출처 및 근거

ORD 기록
ord-d142409dcde740a4a31fd57ea6949cb8
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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