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Potassium Cation → Methyl 7-[3-(2-propoxyphenyl)propoxy]-1,1-dioxo-2,3-dihydro-1-benzothiepine-4-carboxylate

HRID 2312214
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HRID 2312214 반응식
[C:37](=[O:38])([O-:39])[O-:40].[CH3:19][S:20]([O:21][CH2:24][CH2:25][CH2:26][c:27]1[c:28]([O:33][CH2:34][CH2:35][CH3:36])[cH:29][cH:30][cH:31][cH:32]1)(=[O:22])=[O:23].[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[K+:41].[K+:42].[O:43]=[CH:44][N:45]([CH3:46])[CH3:47].[OH: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]>>[O: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])[CH2:24][CH2:25][CH2:26][c:27]1[c:28]([O:33][CH2:34][CH2:35][CH3:36])[cH:29][cH:30][cH:31][cH:32]1
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7

반응물 6

HCID 813Potassium Cation2회HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 22989977Methyl 7-hydroxy-1,1-dioxo-2,3-dihydro-1-benzothiepine-4-carboxylateHCID 229899923-(2-Propoxyphenyl)propyl methanesulfonate

생성물 1

HCID 22990044
Methyl 7-[3-(2-propoxyphenyl)propoxy]-1,1-dioxo-2,3-dihydro-1-benzothiepine-4-carboxylate

출처 및 근거

ORD 기록
ord-e99b8340384f4b06add151f5d0866c6f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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