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Lithium ion → (2RS,5SR)-[1-(4-Ethyl-benzenesulfonyl)-5-(4-fluoro-phenyl)-pyrrolidin-2-yl]-methanol

HRID 115901
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HRID 115901 반응식
[Al+3:57].[CH2:17]([c:18]1[cH:19][cH:20][c:21]([S:22]([Cl:23])(=[O:24])=[O:25])[cH:26][cH:27]1)[CH3:28].[F:1][c:2]1[cH:3][cH:4][c:5]([CH:6]2[NH:7][CH:8]([C:9]([O:10][CH3:11])=[O:12])[CH2:13][CH2:14]2)[cH:15][cH:16]1.[F:29][c:30]1[cH:31][cH:32][c:33]([CH:36]2[CH2:37][CH2:38][CH:39]([C:52](=[O:53])[O:54][CH3:55])[N:40]2[S:41](=[O:42])(=[O:43])[c:44]2[cH:45][cH:46][c:47]([CH2:50][CH3:51])[cH:48][cH:49]2)[cH:34][cH:35]1.[H-:56].[H-:59].[H-:60].[H-:61].[Li+:58]>>[F:29][c:30]1[cH:31][cH:32][c:33]([CH:36]2[CH2:37][CH2:38][CH:39]([CH2:52][OH:53])[N:40]2[S:41](=[O:42])(=[O:43])[c:44]2[cH:45][cH:46][c:47]([CH2:50][CH3:51])[cH:48][cH:49]2)[cH:34][cH:35]1
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참가 물질

7

반응물 6

HCID 28486Lithium ionHCID 104727Aluminum CationHCID 166653Hydride4회HCID 5709594-Ethylbenzene-1-sulfonyl chlorideHCID 67257147methyl (2RS,5SR)-5-(4-fluoro-phenyl)-pyrrolidine-2-carboxylateHCID 86584369methyl (2RS,5SR)-5-(4-fluoro-phenyl)-1-(4-ethyl-benzenesulfonyl)-pyrrolidine-2-carboxylate

생성물 1

HCID 69596851(2RS,5SR)-[1-(4-Ethyl-benzenesulfonyl)-5-(4-fluoro-phenyl)-pyrrolidin-2-yl]-methanol

출처 및 근거

ORD 기록
ord-a7d1758fa1864c48ac84bf97aeb18542
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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