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Ethanol → 7-[4-(1-butoxyethoxy)phenyl]-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-1-prop-2-enyl-2,3-dihydro-1-benzazepine-4-carboxamide

HRID 1150872
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인쇄 미리보기

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HRID 1150872 반응식
[B:37]([O-:38])([O-:53])[O:54][c:39]1[cH:40][cH:41][c:42]([O:45][CH:46]([CH3:47])[O:48][CH2:49][CH2:50][CH2:51][CH3:52])[cH:43][cH:44]1.[C:55](=[O:56])([O-:57])[O-:58].[CH2:4]([CH:5]=[CH2:6])[N:7]1[CH2:8][CH2:9][C:10]([C:19](=[O:20])[NH:21][c:22]2[cH:23][cH:24][c:25]([CH2:28][N:29]([CH:30]3[CH2:31][CH2:32][O:33][CH2:34][CH2:35]3)[CH3:36])[cH:26][cH:27]2)=[CH:11][c:12]2[c:13]1[cH:14][cH:15][c:16]([Br:18])[cH:17]2.[CH3:1][CH2:2][OH:3].[CH3:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1.[K+:59].[K+:60].[OH2:68]>>[CH2:4]([CH:5]=[CH2:6])[N:7]1[CH2:8][CH2:9][C:10]([C:19](=[O:20])[NH:21][c:22]2[cH:23][cH:24][c:25]([CH2:28][N:29]([CH:30]3[CH2:31][CH2:32][O:33][CH2:34][CH2:35]3)[CH3:36])[cH:26][cH:27]2)=[CH:11][c:12]2[c:13]1[cH:14][cH:15][c:16](-[c:39]1[cH:40][cH:41][c:42]([O:45][CH:46]([CH3:47])[O:48][CH2:49][CH2:50][CH2:51][CH3:52])[cH:43][cH:44]1)[cH:17]2
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 702EthanolHCID 813Potassium Cation2회HCID 962WaterHCID 1140TolueneHCID 19660Carbonate IonHCID 223290481-allyl-7-bromo-N-[4-[[N-methyl-N-(tetrahydropyran-4-yl)amino]methyl]phenyl]-2,3-dihydro-1-benzazepine-4-carboxamideHCID 178450557HCID 178450557, 화합물

생성물 1

HCID 697474807-[4-(1-butoxyethoxy)phenyl]-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-1-prop-2-enyl-2,3-dihydro-1-benzazepine-4-carboxamide

출처 및 근거

ORD 기록
ord-2f5f45c38dd147a49f99f2a63bf282dc
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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