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Acetate → 1-[4-Fluoro-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol

HRID 702230
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HRID 702230 반응식
[Br:1][c:2]1[c:3]([C:9]([F:10])([F:11])[F:12])[cH:4][c:5]([F:8])[cH:6][cH:7]1.[C:65](=[O:66])([O-:67])[O-:68].[CH3:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1.[Cs+:69].[Cs+:70].[O-:79][C:80]([CH3:81])=[O:82].[O-:83][C:84]([CH3:85])=[O:86].[OH2:87].[OH:13][CH:14]1[CH2:15][NH:16][CH2:17][CH2:18]1.[Pd+2:78].[c:19]1([P:20]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:27]2[cH:28][cH:29][c:30]3[c:31]([cH:32][cH:33][cH:34][cH:35]3)[c:36]2-[c:37]2[c:38]3[c:39]([cH:40][cH:41][cH:42][cH:43]3)[cH:44][cH:45][c:46]2[P:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[cH:60][cH:61][cH:62][cH:63][cH:64]1>>[c:2]1([N:16]2[CH2:15][CH:14]([OH:13])[CH2:18][CH2:17]2)[c:3]([C:9]([F:10])([F:11])[F:12])[cH:4][c:5]([F:8])[cH:6][cH:7]1
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 175Acetate2회HCID 962WaterHCID 1140TolueneHCID 19660Carbonate IonHCID 982104-HydroxypyrrolidineHCID 104967Cesium cation2회HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)
HCID 520983
2-Bromo-5-fluorobenzotrifluoride
HCID 634876Binap, (A+-)-

생성물 1

HCID 670222871-[4-Fluoro-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol

출처 및 근거

ORD 기록
ord-15855e4292be447ea069937f9b7574f3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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