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

참가 물질

반응물 3

HCID 887Methanol

HCID 8028Tetrahydrofuran

HCID 537121684-[(4-Benzyloxy-phenyl)-(3-methyl-butyl)-amino]-piperidine-1-carboxylic acid tert-butyl ester

생성물 1

HCID 542988674-[(4-Hydroxy-phenyl)-(3-methyl-butyl)-amino]-piperidine-1-carboxylic acid tert-butyl ester

출처 및 근거

ORD 기록: ord-3b86302932df4b3ab61b3a3f75466cbe
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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