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Water → 5-[2-(2-Chloro-4-methoxy-phenyl)-1-hydroxy-1-trifluoromethyl-propyl]-3-methyl-3H-benzooxazol-2-one

HRID 1216122
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HRID 1216122 반응식
[CH2:37]([N+:38]([CH2:39][CH2:40][CH2:41][CH3:42])([CH2:43][CH2:44][CH2:45][CH3:46])[CH2:47][CH2:48][CH2:49][CH3:50])[CH2:51][CH2:52][CH3:53].[CH2:72]1[O:73][CH2:74][CH2:75][CH2:76]1.[CH3:55][CH2:56][CH2:57][CH2:58][N+:59]([CH2:60][CH2:61][CH2:62][CH3:63])([CH2:64][CH2:65][CH2:66][CH3:67])[CH2:68][CH2:69][CH2:70][CH3:71].[Cl:9][c:10]1[c:11]([CH:18]([C:19](=[O:20])[c:21]2[cH:22][cH:23][c:24]3[c:25]([n:26]([CH3:30])[c:27](=[O:29])[o:28]3)[cH:31]2)[CH3:32])[cH:12][cH:13][c:14]([O:16][CH3:17])[cH:15]1.[F-:36].[F-:54].[F:1][C:2]([F:3])([F:4])[Si:5]([CH3:6])([CH3:7])[CH3:8].[OH2:33].[OH2:34].[OH2:35]>>[F:1][C:2]([F:3])([F:4])[C:19]([CH:18]([c:11]1[c:10]([Cl:9])[cH:15][c:14]([O:16][CH3:17])[cH:13][cH:12]1)[CH3:32])([OH:20])[c:21]1[cH:22][cH:23][c:24]2[c:25]([n:26]([CH3:30])[c:27](=[O:29])[o:28]2)[cH:31]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 962Water3회HCID 8028TetrahydrofuranHCID 16028Tetrabutylammonium2회HCID 28179Fluoride Ion2회HCID 552549(Trifluoromethyl)trimethylsilaneHCID 666970525-[2-(2-Chloro-4-methoxy-phenyl)-propionyl]-3-methyl-3H-benzooxazol-2-one

생성물 1

HCID 66696992
5-[2-(2-Chloro-4-methoxy-phenyl)-1-hydroxy-1-trifluoromethyl-propyl]-3-methyl-3H-benzooxazol-2-one

출처 및 근거

ORD 기록
ord-85bb684dd99842a1a09e2cb966e5b571
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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