Acetonitrile → 1-(1-Amino-4-bromospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-one

반응식

[Br:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:10]1[C:9]1([CH2:8][CH:7]2[NH:30][C:31](=[O:32])[O:33][CH2:34][CH2:35][Si:36]([CH3:37])([CH3:38])[CH3:39])[CH2:11][CH2:12][N:13]([C:16]([CH:17]=[CH:18][c:19]2[c:20]([C:25]([F:26])([F:27])[F:28])[cH:21][cH:22][cH:23][cH:24]2)=[O:29])[CH2:14][CH2:15]1.[CH3:40][C:41]#[N:42]>>[Br:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:10]1[C:9]1([CH2:8][CH:7]2[NH2:30])[CH2:11][CH2:12][N:13]([C:16]([CH:17]=[CH:18][c:19]2[c:20]([C:25]([F:26])([F:27])[F:28])[cH:21][cH:22][cH:23][cH:24]2)=[O:29])[CH2:14][CH2:15]1

참가 물질

반응물 2

HCID 6342Acetonitrile

HCID 672230152-trimethylsilylethyl N-[4-bromo-1'-[3-[2-(trifluoromethyl)phenyl]prop-2-enoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]carbamate

생성물 1

HCID 767446611-(1-Amino-4-bromospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-one

출처 및 근거

ORD 기록: ord-24824903a78d42c39c53c95f00c71e72
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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