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Acetic Acid → [(3RS,4SR)-1-Benzyl-4-(3,4-dichloro-phenyl)-pyrrolidin-3-yl]-(3-fluoro-4-trifluoromethyl-benzyl)-methyl-amine

HRID 2316824
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HRID 2316824 반응식
[C:36]([BH3-:37])#[N:38].[C:42]([OH:43])(=[O:44])[CH3:45].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH:10]([NH:21][CH3:22])[CH:11]([c:13]2[cH:14][c:15]([Cl:20])[c:16]([Cl:19])[cH:17][cH:18]2)[CH2:12]1.[CH3:40][OH:41].[F:23][c:24]1[cH:25][c:26]([CH:27]=[O:28])[cH:29][cH:30][c:31]1[C:32]([F:33])([F:34])[F:35].[Na+:39]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH:10]([N:21]([CH3:22])[CH2:27][c:26]2[cH:25][c:24]([F:23])[c:31]([C:32]([F:33])([F:34])[F:35])[cH:30][cH:29]2)[CH:11]([c:13]2[cH:14][c:15]([Cl:20])[c:16]([Cl:19])[cH:17][cH:18]2)[CH2:12]1
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반응물 6

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium IonHCID 498716Cyano-borohydrideHCID 27375373-Fluoro-4-(trifluoromethyl)benzaldehydeHCID 67324150[(3RS,4SR)-1-benzyl-4-(3,4-dichloro-phenyl)-pyrrolidin-3-yl]-methyl-amine

생성물 1

HCID 86641315
[(3RS,4SR)-1-Benzyl-4-(3,4-dichloro-phenyl)-pyrrolidin-3-yl]-(3-fluoro-4-trifluoromethyl-benzyl)-methyl-amine

출처 및 근거

ORD 기록
ord-37f2c0d8f28543e99d8d196aef552b1f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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