Ethyl Acetate → 3-[1-(3-chloro-2-fluorophenyl)-1-hydroxy-5-methoxypentyl]-N-(4-cyclohexylpiperidin-3-yl)piperidine-1-carboxamide

반응식

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

참가 물질

반응물 3

HCID 8857Ethyl Acetate

HCID 24290Palladium Chloride

HCID 178494986HCID 178494986, 화합물

생성물 1

HCID 671921913-[1-(3-chloro-2-fluorophenyl)-1-hydroxy-5-methoxypentyl]-N-(4-cyclohexylpiperidin-3-yl)piperidine-1-carboxamide

출처 및 근거

ORD 기록: ord-ffb52ed631d649148a41501b2e119c63
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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