Acetonitrile → 4-[3-(4-Butylidenepiperidin-1-yl)-2-methylpropyl]-1,4-benzoxazin-3-one

반응식

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

참가 물질

반응물 3

HCID 6342Acetonitrile

HCID 149666594-Butylidenepiperidine

HCID 689142124-(3-Iodo-2-methylpropyl)-1,4-benzoxazin-3-one

생성물 1

HCID 689100324-[3-(4-Butylidenepiperidin-1-yl)-2-methylpropyl]-1,4-benzoxazin-3-one

출처 및 근거

ORD 기록: ord-a1b092a0c3c7428ab8bfd04a7ad323d4
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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