4-(3-Methyl-1,2,4-oxadiazol-5-yl)benzoic acid → N-{(3RS,4SR)-4-(3,4-dichloro-phenyl)-1-[4-(3-methyl-[1,2,4]oxadiazol-5-yl)-benzoyl]-pyrrolidin-3-yl}-2-(4-fluoro-phenyl)-N-methyl-acetamide

반응식

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

참가 물질

반응물 2

HCID 221101114-(3-Methyl-1,2,4-oxadiazol-5-yl)benzoic acid

HCID 67025826N-[(3RS,4SR)-4-(3,4-dichloro-phenyl)-pyrrolidin-3-yl]-2-(4-fluoro-phenyl)-N-methyl-acetamide

생성물 1

HCID 67026097N-{(3RS,4SR)-4-(3,4-dichloro-phenyl)-1-[4-(3-methyl-[1,2,4]oxadiazol-5-yl)-benzoyl]-pyrrolidin-3-yl}-2-(4-fluoro-phenyl)-N-methyl-acetamide

출처 및 근거

ORD 기록: ord-457f23fcd85d4fd09868bfd86c534ea1
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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