Ethanol → [3S-[2(2S*,3R),3a,4ab,8ab]]-2-(3-Amino-2-hydroxy-4-phenylbutyl)-N-(1,1-dimethylethyl)decahydro-3-Isoquinolinecarboxamide

반응식

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

참가 물질

반응물 2

HCID 702Ethanol

HCID 98672222-(3-azido-2-hydroxy-4-phenylbutyl)-N-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide

생성물 1

HCID 14962803[3S-[2(2S*,3R),3a,4ab,8ab]]-2-(3-Amino-2-hydroxy-4-phenylbutyl)-N-(1,1-dimethylethyl)decahydro-3-Isoquinolinecarboxamide

출처 및 근거

ORD 기록: ord-abfaf13eb5044d7e827b200928ea555a
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

반응 노트

불러오는 중…