Ethyl Acetate → Tert-butyl 3-[2-aminoethoxy-(3-chloro-2-fluorophenyl)methyl]piperidine-1-carboxylate

반응식

[CH3:29][CH2:30][O:31][C:32]([CH3:33])=[O:34].[N:1](=[N+:2]=[N-:3])[CH2:4][CH2:5][O:6][CH:7]([CH:8]1[CH2:9][N:10]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:11][CH2:12][CH2:13]1)[c:21]1[c:22]([F:28])[c:23]([Cl:27])[cH:24][cH:25][cH:26]1>>[NH2:1][CH2:4][CH2:5][O:6][CH:7]([CH:8]1[CH2:9][N:10]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:11][CH2:12][CH2:13]1)[c:21]1[c:22]([F:28])[c:23]([Cl:27])[cH:24][cH:25][cH:26]1

참가 물질

반응물 2

HCID 8857Ethyl Acetate

HCID 72283035Tert-butyl 3-[2-azidoethoxy-(3-chloro-2-fluorophenyl)methyl]piperidine-1-carboxylate

생성물 1

HCID 67190071Tert-butyl 3-[2-aminoethoxy-(3-chloro-2-fluorophenyl)methyl]piperidine-1-carboxylate

출처 및 근거

ORD 기록: ord-419f01566e1c4fd0ba2bfbc4a1062389
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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