Acetonitrile → HCID 10453356, 화합물

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[Br:17][CH2:18][CH2:19][CH2:20][O:21][c:22]1[cH:23][cH:24][c:25]([C:28]([CH3:29])=[O:30])[cH:26][cH:27]1.[CH3:31][C:32]#[N:33].[F:1][c:2]1[cH:3][c:4]2[c:5]([c:6]([CH:9]3[CH2:10][CH2:11][NH:12][CH2:13][CH2:14]3)[n:7][o:8]2)[cH:15][cH:16]1>>[F:1][c:2]1[cH:3][c:4]2[c:5]([c:6]([CH:9]3[CH2:10][CH2:11][N:12]([CH2:18][CH2:19][CH2:20][O:21][c:22]4[cH:23][cH:24][c:25]([C:28]([CH3:29])=[O:30])[cH:26][cH:27]4)[CH2:13][CH2:14]3)[n:7][o:8]2)[cH:15][cH:16]1

참가 물질

반응물 3

HCID 6342Acetonitrile

HCID 8494213-(4-Piperidyl)-6-fluoro-1,2-benzisoxazole

HCID 10061000HCID 10061000, 화합물

생성물 1

HCID 10453356HCID 10453356, 화합물

출처 및 근거

ORD 기록: ord-b7ca3906e5db4537a1acc11f925285b6
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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