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Acetone → Tert-butyl 2-[(tert-butoxycarbonyl)oxy]-6-[({4'-[(methoxycarbonyl)methyl]-2'-nitro-1,1'-biphenyl-4-yl}oxy)methyl]-3-(trifluoromethyl)benzoate

HRID 208938
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HRID 208938 반응식
[Br:28][CH2:29][c:30]1[cH:31][cH:32][c:33]([C:51]([F:52])([F:53])[F:54])[c:34]([O:43][C:44](=[O:45])[O:46][C:47]([CH3:48])([CH3:49])[CH3:50])[c:35]1[C:36](=[O:37])[O:38][C:39]([CH3:40])([CH3:41])[CH3:42].[C:1](=[O:2])([O-:3])[O-:4].[CH3:56][C:57](=[O:58])[CH3:59].[K+:5].[K+:6].[OH2:55].[OH:7][c:8]1[cH:9][cH:10][c:11](-[c:14]2[c:15]([N+:25](=[O:26])[O-:27])[cH:16][c:17]([CH2:20][C:21](=[O:22])[O:23][CH3:24])[cH:18][cH:19]2)[cH:12][cH:13]1>>[O:7]([c:8]1[cH:9][cH:10][c:11](-[c:14]2[c:15]([N+:25](=[O:26])[O-:27])[cH:16][c:17]([CH2:20][C:21](=[O:22])[O:23][CH3:24])[cH:18][cH:19]2)[cH:12][cH:13]1)[CH2:29][c:30]1[cH:31][cH:32][c:33]([C:51]([F:52])([F:53])[F:54])[c:34]([O:43][C:44](=[O:45])[O:46][C:47]([CH3:48])([CH3:49])[CH3:50])[c:35]1[C:36](=[O:37])[O:38][C:39]([CH3:40])([CH3:41])[CH3:42]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 180AcetoneHCID 813Potassium Cation2회HCID 962WaterHCID 19660Carbonate IonHCID 67119234Tert-butyl 6-(bromomethyl)-2-[(tert-butoxycarbonyl)oxy]-3-(trifluoromethyl)benzoateHCID 86088130Methyl (4'-hydroxy-2-nitro-1,1'-biphenyl-4-yl)acetate

생성물 1

HCID 67119306
Tert-butyl 2-[(tert-butoxycarbonyl)oxy]-6-[({4'-[(methoxycarbonyl)methyl]-2'-nitro-1,1'-biphenyl-4-yl}oxy)methyl]-3-(trifluoromethyl)benzoate

출처 및 근거

ORD 기록
ord-ff234e0512a948cb8a0f21eebaed4d4b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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