N-((1SR,2RS,4RS)-7-azabicyclo[2.2.1]heptan-2-yl)isoquinolin-5-amine → 2-(5-(((1SR,2RS,4RS)-2-(isoquinolin-5-ylamino)-7-azabicyclo[2.2.1]heptan-7-yl)methyl)-2-methylphenoxy)ethanol

HRID 163990노트

반응식

HRID 163990 반응식
[CH:1]12[CH:2]([NH:8][c:9]3[c:10]4[cH:11][cH:12][n:13][cH:14][c:15]4[cH:16][cH:17][cH:18]3)[CH2:3][CH:4]([CH2:5][CH2:6]1)[NH:7]2.[OH:19][CH2:20][CH2:21][O:22][c:23]1[cH:24][c:25]([CH:26]=[O:27])[cH:28][cH:29][c:30]1[CH3:31]>>[CH:1]12[CH:2]([NH:8][c:9]3[c:10]4[cH:11][cH:12][n:13][cH:14][c:15]4[cH:16][cH:17][cH:18]3)[CH2:3][CH:4]([CH2:5][CH2:6]1)[N:7]2[CH2:26][c:25]1[cH:24][c:23]([O:22][CH2:21][CH2:20][OH:19])[c:30]([CH3:31])[cH:29][cH:28]1

참가 물질

3

반응물 2

HCID 67234592N-((1SR,2RS,4RS)-7-azabicyclo[2.2.1]heptan-2-yl)isoquinolin-5-amineHCID 866544283-(2-Hydroxyethoxy)-4-methylbenzaldehyde

생성물 1

HCID 532475512-(5-(((1SR,2RS,4RS)-2-(isoquinolin-5-ylamino)-7-azabicyclo[2.2.1]heptan-7-yl)methyl)-2-methylphenoxy)ethanol

출처 및 근거

ORD 기록
ord-53adab80d0c543e69767079647ca060a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

반응 노트

불러오는 중…