tert-Butyl 4-oxopiperidine-1-carboxylate → 4-[1-(2,4-Dichloro-phenyl)-5-methyl-1H-[1,2,4]triazol-3-ylamino]-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][C:11](=[O:14])[CH2:12][CH2:13]1.[Cl:15][c:16]1[c:17](-[n:23]2[n:24][c:25]([NH2:29])[n:26][c:27]2[CH3:28])[cH:18][cH:19][c:20]([Cl:22])[cH:21]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([NH:29][c:25]2[n:24][n:23](-[c:17]3[c:16]([Cl:15])[cH:21][c:20]([Cl:22])[cH:19][cH:18]3)[c:27]([CH3:28])[n:26]2)[CH2:12][CH2:13]1

참가 물질

반응물 2

HCID 735900tert-Butyl 4-oxopiperidine-1-carboxylate

HCID 673416041-(2,4-dichlorophenyl)-5-methyl-1H-1,2,4-triazol-3-amine

생성물 1

HCID 673419754-[1-(2,4-Dichloro-phenyl)-5-methyl-1H-[1,2,4]triazol-3-ylamino]-piperidine-1-carboxylic acid tert-butyl ester

출처 및 근거

ORD 기록: ord-eee18a7cf771428f845224b4a7dfa266
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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