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Ethanol → 7-[4-(2-butoxyethoxy)phenyl]-N-[4-[hydroxy(1-oxidopyridin-2-yl)methyl]-3-trifluoromethylphenyl]-2,3-dihydro-1-benzazepine-4-carboxamide

HRID 312487
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HRID 312487 반응식
[BH4-:54].[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][CH2:6][CH2:7][O:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[cH:16][cH:17][c:18]3[c:19]([cH:53]2)[CH:20]=[C:21]([C:31](=[O:32])[NH:33][c:34]2[cH:35][c:36]([C:49]([F:50])([F:51])[F:52])[c:37]([CH:40]([c:41]4[n+:42]([O-:47])[cH:43][cH:44][cH:45][cH:46]4)[OH:48])[cH:38][cH:39]2)[CH2:22][CH2:23][N:24]3[C:25](=[O:26])[C:27]([F:28])([F:29])[F:30])[cH:13][cH:14]1.[CH3:57][CH2:58][OH:59].[Na+:55].[OH2:56]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][CH2:6][CH2:7][O:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[cH:16][cH:17][c:18]3[c:19]([cH:53]2)[CH:20]=[C:21]([C:31](=[O:32])[NH:33][c:34]2[cH:35][c:36]([C:49]([F:50])([F:51])[F:52])[c:37]([CH:40]([c:41]4[n+:42]([O-:47])[cH:43][cH:44][cH:45][cH:46]4)[OH:48])[cH:38][cH:39]2)[CH2:22][CH2:23][NH:24]3)[cH:13][cH:14]1
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반응물 5

HCID 702EthanolHCID 923Sodium IonHCID 962WaterHCID 28123BorohydrideHCID 111817687-[4-(2-butoxyethoxy)phenyl]-N-[4-[hydroxy(1-oxidopyridin-2-yl)methyl]-3-trifluoromethylphenyl]-1-(2,2,2-trifluoroacetyl)-2,3-dihydro-1-benzazepine-4-carboxamide

생성물 1

HCID 11354248
7-[4-(2-butoxyethoxy)phenyl]-N-[4-[hydroxy(1-oxidopyridin-2-yl)methyl]-3-trifluoromethylphenyl]-2,3-dihydro-1-benzazepine-4-carboxamide

출처 및 근거

ORD 기록
ord-83b9037fc8544197a4107851a2a7e378
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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