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Water → Rac 1-phenyl-2-{3-[2,2,2-trifluoro-1-(4-methoxy-benzyloxy)-1-trifluoromethyl-ethyl]-phenoxy}-ethanol

HRID 1224727
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HRID 1224727 반응식
[C:36](=[O:37])([O-:38])[O-:39].[Cs+:40].[Cs+:41].[F:1][C:2]([C:3]([C:4]([F:5])([F:6])[F:7])([O:8][CH2:9][c:10]1[cH:11][cH:12][c:13]([O:16][CH3:17])[cH:14][cH:15]1)[c:18]1[cH:19][c:20]([OH:24])[cH:21][cH:22][cH:23]1)([F:25])[F:26].[O:43]1[CH2:44][CH2:45][O:46][CH2:47][CH2:48]1.[OH2:42].[c:27]1([CH:33]2[O:34][CH2:35]2)[cH:28][cH:29][cH:30][cH:31][cH:32]1>>[F:1][C:2]([C:3]([C:4]([F:5])([F:6])[F:7])([O:8][CH2:9][c:10]1[cH:11][cH:12][c:13]([O:16][CH3:17])[cH:14][cH:15]1)[c:18]1[cH:19][c:20]([O:24][CH2:35][CH:33]([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[OH:34])[cH:21][cH:22][cH:23]1)([F:25])[F:26]
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7

반응물 6

HCID 962WaterHCID 7276Styrene OxideHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2회HCID 86604220HCID 86604220, 화합물

생성물 1

HCID 87605889
Rac 1-phenyl-2-{3-[2,2,2-trifluoro-1-(4-methoxy-benzyloxy)-1-trifluoromethyl-ethyl]-phenoxy}-ethanol

출처 및 근거

ORD 기록
ord-ea4efa8f48634b7883a525d63c4518e1
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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