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Borane → 3-[2-[3-[(3,4-Dichlorophenyl)methoxy]phenyl]-2-hydroxyethoxy]-4-fluorobenzonitrile

HRID 208575
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반응식

HRID 208575 반응식
[BH3:12].[CH2:1]([N:2]([CH2:3][CH3:4])[c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[CH3:11].[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[Cl:13][c:14]1[cH:15][c:16]([CH2:17][O:18][c:19]2[cH:20][c:21]([C:25]([CH2:26][O:27][c:28]3[cH:29][c:30]([C:31]#[N:32])[cH:33][cH:34][c:35]3[F:36])=[O:37])[cH:22][cH:23][cH:24]2)[cH:38][cH:39][c:40]1[Cl:41]>>[Cl:13][c:14]1[cH:15][c:16]([CH2:17][O:18][c:19]2[cH:20][c:21]([CH:25]([CH2:26][O:27][c:28]3[cH:29][c:30]([C:31]#[N:32])[cH:33][cH:34][c:35]3[F:36])[OH:37])[cH:22][cH:23][cH:24]2)[cH:38][cH:39][c:40]1[Cl:41]
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반응물 4

HCID 6331BoraneHCID 7061N,N-DiethylanilineHCID 8028TetrahydrofuranHCID 583271093-{2-[3-(3,4-Dichloro-benzyloxy)-phenyl]-2-oxo-ethoxy}-4-fluoro-benzonitrile

생성물 1

HCID 667196263-[2-[3-[(3,4-Dichlorophenyl)methoxy]phenyl]-2-hydroxyethoxy]-4-fluorobenzonitrile

출처 및 근거

ORD 기록
ord-68cdab5f83c441e08fd8073674d16659
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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