1-(3-Chlorophenyl)-2,2,2-trifluoroethanone → HCID 16110702, 화합물

반응식

[C:1]([Si:2]([CH3:3])([CH3:4])[O:6][CH:7]([CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[c:20]1[o:21][c:22](-[c:25]2[cH:26][c:27]([C:31]([C:32]([F:33])([F:34])[F:35])=[O:36])[cH:28][cH:29][cH:30]2)[cH:23][n:24]1)([CH3:5])([CH3:37])[CH3:38].[C:39]([Si:40]([CH3:41])([CH3:42])[O:43][CH:44]([c:45]1[o:46][c:47]([Sn:48]([CH2:49][CH2:50][CH2:51][CH3:52])([CH2:53][CH2:54][CH2:55][CH3:56])[CH2:57][CH2:58][CH2:59][CH3:60])[cH:61][n:62]1)[CH2:63][CH2:64][CH2:65][CH2:66][CH2:67][CH2:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1)([CH3:75])([CH3:76])[CH3:77].[Cl:78][c:79]1[cH:80][c:81]([C:82](=[O:83])[C:84]([F:85])([F:86])[F:87])[cH:88][cH:89][cH:90]1>>[O:6]=[C:7]([CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[c:20]1[o:21][c:22](-[c:25]2[cH:26][c:27]([C:31]([C:32]([F:33])([F:34])[F:35])=[O:36])[cH:28][cH:29][cH:30]2)[cH:23][n:24]1

참가 물질

반응물 3

HCID 27579311-(3-Chlorophenyl)-2,2,2-trifluoroethanone

HCID 16110610HCID 16110610, 화합물

HCID 670460482-(1-(Tert-butyldimethylsilyloxy)-7-phenylheptyl)-5-(tributylstannyl)oxazole

생성물 1

HCID 16110702HCID 16110702, 화합물

출처 및 근거

ORD 기록: ord-e801de73314e4cdf981364fea24e25ee
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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