Isopropanol → 2,5-Difluorobenzoic acid [4-(tert-butyldimethylsilanyloxy)-1-phenylbutylidene]-hydrazide

반응식

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

참가 물질

반응물 3

HCID 3776Isopropanol

HCID 27740742,5-Difluorobenzohydrazide

HCID 110657931-Butanone, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1-phenyl-

생성물 1

HCID 722521882,5-Difluorobenzoic acid [4-(tert-butyldimethylsilanyloxy)-1-phenylbutylidene]-hydrazide

출처 및 근거

ORD 기록: ord-4dcfdf361c9e43c2a3c2019e4b66977c
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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