Acetonitrile → 2-Methyl-4-[2-(4-trifluoromethyl-phenyl)-ethyl]-6,7-dihydro-thieno[3,2-c]pyridine

반응식

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

참가 물질

반응물 3

HCID 6342Acetonitrile

HCID 24813Phosphorus oxychloride

HCID 59819988N-[2-(5-Methyl-thiophen-2-yl)-ethyl]-3-(4-trifluoromethyl-phenyl)-propionamide

생성물 1

HCID 598200122-Methyl-4-[2-(4-trifluoromethyl-phenyl)-ethyl]-6,7-dihydro-thieno[3,2-c]pyridine

출처 및 근거

ORD 기록: ord-e52af4da1f914ca995579517af276d6a
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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