Ethyl bromoacetate → Ethyl [5-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-1H-indazol-1-yl]acetate

반응식

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

참가 물질

반응물 2

HCID 7748Ethyl bromoacetate

HCID 532473675-[3-(1H-indazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-[(1-methylethyl)oxy]benzonitrile

생성물 1

HCID 59316757Ethyl [5-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-1H-indazol-1-yl]acetate

출처 및 근거

ORD 기록: ord-9a150d0dcfb8416a809759051ababc00
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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