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Ethanol → Methyl 7-[4-(2-propoxyethoxy)phenyl]-1,1-dioxo-2,3-dihydro-1-benzothiepine-4-carboxylate

HRID 1138197
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반응식

HRID 1138197 반응식
[B:30]([O-:31])([O-:45])[O:46][c:32]1[cH:33][cH:34][c:35]([O:38][CH2:39][CH2:40][O:41][CH2:42][CH2:43][CH3:44])[cH:36][cH:37]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:47](=[O:48])([O-:49])[O-:50].[CH2:20]([OH:21])[CH3:22].[K+:51].[K+:52].[OH2:19].[OH2:53].[c:23]1([CH3:24])[cH:25][cH:26][cH:27][cH:28][cH:29]1>>[c:2]1(-[c:32]2[cH:33][cH:34][c:35]([O:38][CH2:39][CH2:40][O:41][CH2:42][CH2:43][CH3:44])[cH:36][cH:37]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 867568144-(2-Propoxyethoxy)phenyl borate

생성물 1

HCID 21995813Methyl 7-[4-(2-propoxyethoxy)phenyl]-1,1-dioxo-2,3-dihydro-1-benzothiepine-4-carboxylate

출처 및 근거

ORD 기록
ord-db9bb3b70c494bc69c106c3d4ff74d38
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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