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Acetonitrile → 1-O-benzyl 2-O-methyl 4-(4-phenylphenyl)-4-propan-2-ylsulfanylpyrrolidine-1,2-dicarboxylate

HRID 287573
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HRID 287573 반응식
[CH3:33][CH:34]([CH3:35])[SH:36].[CH3:37][C:38]#[N:39].[F:40][C:41]([F:42])([F:43])[S:44]([O-:45])(=[O:46])=[O:47].[F:49][C:50]([F:51])([F:52])[S:53]([O-:54])(=[O:55])=[O:56].[F:57][C:58]([F:59])([F:60])[S:61]([O-:62])(=[O:63])=[O:64].[Sc+3:48].[c:1]1(-[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:2][cH:3][c:4]([C:7]2([OH:26])[CH2:8][CH:9]([C:22](=[O:23])[O:24][CH3:25])[N:10]([C:12](=[O:13])[O:14][CH2:15][c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[CH2:11]2)[cH:5][cH:6]1>>[c:1]1(-[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:2][cH:3][c:4]([C:7]2([S:36][CH:34]([CH3:33])[CH3:35])[CH2:8][CH:9]([C:22](=[O:23])[O:24][CH3:25])[N:10]([C:12](=[O:13])[O:14][CH2:15][c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[CH2:11]2)[cH:5][cH:6]1
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반응물 5

HCID 6342AcetonitrileHCID 63642-PropanethiolHCID 2758875Trifluoromethanesulfonate3회HCID 4534583Scandium, ion (Sc3+)HCID 667531321-O-benzyl 2-O-methyl 4-hydroxy-4-(4-phenylphenyl)pyrrolidine-1,2-dicarboxylate

생성물 1

HCID 67030572
1-O-benzyl 2-O-methyl 4-(4-phenylphenyl)-4-propan-2-ylsulfanylpyrrolidine-1,2-dicarboxylate

출처 및 근거

ORD 기록
ord-3aa4046606a6429c98981f2c90c219f5
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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