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Ethanol → 7-[4-(3-ethoxypropoxy)phenyl]-1-methyl-N-[4-[[N-methyl-N-(tetrahydro-2H-pyran-4-yl)amino]methyl]phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide

HRID 1229173
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인쇄 미리보기

반응식

HRID 1229173 반응식
[B:1]([O-:2])([O-:16])[O:17][c:3]1[cH:4][cH:5][c:6]([O:9][CH2:10][CH2:11][CH2:12][O:13][CH2:14][CH3:15])[cH:7][cH:8]1.[Br:18][c:19]1[cH:20][cH:21][c:22]2[c:23]([cH:48]1)[CH:24]=[C:25]([C:30](=[O:31])[NH:32][c:33]1[cH:34][cH:35][c:36]([CH2:39][N:40]([CH:41]3[CH2:42][CH2:43][O:44][CH2:45][CH2:46]3)[CH3:47])[cH:37][cH:38]1)[CH2:26][CH2:27][N:28]2[CH3:29].[C:49](=[O:50])([O-:51])[O-:52].[CH2:62]([OH:63])[CH3:64].[CH3:66][CH2:67][O:68][C:69](=[O:70])[CH3:71].[K+:53].[K+:54].[OH2:65].[c:55]1([CH3:56])[cH:57][cH:58][cH:59][cH:60][cH:61]1>>[c:3]1(-[c:19]2[cH:20][cH:21][c:22]3[c:23]([cH:48]2)[CH:24]=[C:25]([C:30](=[O:31])[NH:32][c:33]2[cH:34][cH:35][c:36]([CH2:39][N:40]([CH:41]4[CH2:42][CH2:43][O:44][CH2:45][CH2:46]4)[CH3:47])[cH:37][cH:38]2)[CH2:26][CH2:27][N:28]3[CH3:29])[cH:4][cH:5][c:6]([O:9][CH2:10][CH2:11][CH2:12][O:13][CH2:14][CH3:15])[cH:7][cH:8]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 702EthanolHCID 813Potassium Cation2회HCID 962WaterHCID 1140TolueneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 223290367-bromo-1-methyl-N-[4-[[N-methyl-N-(tetrahydropyran-4-yl)amino]methyl]phenyl]-2,3-dihydro-1-benzoazepine-4-carboxamide
HCID 86756816
4-(3-Ethoxypropoxy)phenyl borate

생성물 1

HCID 223291327-[4-(3-ethoxypropoxy)phenyl]-1-methyl-N-[4-[[N-methyl-N-(tetrahydro-2H-pyran-4-yl)amino]methyl]phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide

출처 및 근거

ORD 기록
ord-9bdd39052a3348cd9255980deb6d6226
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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