Methanol → 4-[1-(2-Amino-ethyl)-4-(3-chloro-4-fluoro-phenyl)-1H-imidazol-2-yl]-piperidine-1-carboxylic acid tert-butyl ester

반응식

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

참가 물질

반응물 3

HCID 887Methanol

HCID 24385Nickel Dichloride

HCID 672655344-[4-(3-Chloro-4-fluoro-phenyl)-1-cyanomethyl-1H-imidazol-2-yl]-piperidine-1-carboxylic acid tert-butyl ester

생성물 1

HCID 672651144-[1-(2-Amino-ethyl)-4-(3-chloro-4-fluoro-phenyl)-1H-imidazol-2-yl]-piperidine-1-carboxylic acid tert-butyl ester

출처 및 근거

ORD 기록: ord-5c348e47cd5f4552b596f1509d808c40
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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