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Ethanol → 7-[4-[N-(2-ethoxyethyl)-N-methylamino]phenyl]-N-[4-[[N-methyl-N-(tetrahydropyran-4-yl)amino]methyl]phenyl]-1,1-dioxo-2,3-dihydro-1-benzothiepine-4-carboxamide

HRID 961601
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인쇄 미리보기

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HRID 961601 반응식
[B:33]([O-:34])([O-:48])[O:49][c:35]1[cH:36][cH:37][c:38]([N:41]([CH3:42])[CH2:43][CH2:44][O:45][CH2:46][CH3:47])[cH:39][cH:40]1.[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:32]1)[CH:7]=[C:8]([C:14](=[O:15])[NH:16][c:17]1[cH:18][cH:19][c:20]([CH2:23][N:24]([CH:25]3[CH2:26][CH2:27][O:28][CH2:29][CH2:30]3)[CH3:31])[cH:21][cH:22]1)[CH2:9][CH2:10][S:11]2(=[O:12])=[O:13].[C:50](=[O:51])([O-:52])[O-:53].[CH2:57]([OH:58])[CH3:59].[K+:54].[K+:55].[OH2:56].[c:60]1([CH3:61])[cH:62][cH:63][cH:64][cH:65][cH:66]1>>[c:2]1(-[c:35]2[cH:36][cH:37][c:38]([N:41]([CH3:42])[CH2:43][CH2:44][O:45][CH2:46][CH3:47])[cH:39][cH:40]2)[cH:3][cH:4][c:5]2[c:6]([cH:32]1)[CH:7]=[C:8]([C:14](=[O:15])[NH:16][c:17]1[cH:18][cH:19][c:20]([CH2:23][N:24]([CH:25]3[CH2:26][CH2:27][O:28][CH2:29][CH2:30]3)[CH3:31])[cH:21][cH:22]1)[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 219957067-bromo-N-[4-[[N-methyl-N-(tetrahydropyran-4-yl)amino]methyl]phenyl]-1,1-dioxo-2,3-dihydro-1-benzothiepine-4-carboxamideHCID 86756798HCID 86756798, 화합물

생성물 1

HCID 219957537-[4-[N-(2-ethoxyethyl)-N-methylamino]phenyl]-N-[4-[[N-methyl-N-(tetrahydropyran-4-yl)amino]methyl]phenyl]-1,1-dioxo-2,3-dihydro-1-benzothiepine-4-carboxamide

출처 및 근거

ORD 기록
ord-e48ceb5490dd4604b59d72ecf89bbf0c
출처 데이터셋
Validation data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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