Methanol → trans-6-(4-methylaminocyclohexyloxy)-2H-isoquinolin-1-one

반응식

[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][n:8]2[c:9](=[O:27])[c:10]3[cH:11][cH:12][c:13]([O:18][CH:19]4[CH2:20][CH2:21][CH:22]([NH:25][CH3:26])[CH2:23][CH2:24]4)[cH:14][c:15]3[cH:16][cH:17]2)[cH:28][cH:29]1.[CH3:30][OH:31].[F:32][C:33]([F:34])([F:35])[C:36]([OH:37])=[O:38]>>[nH:8]1[c:9](=[O:27])[c:10]2[cH:11][cH:12][c:13]([O:18][CH:19]3[CH2:20][CH2:21][CH:22]([NH:25][CH3:26])[CH2:23][CH2:24]3)[cH:14][c:15]2[cH:16][cH:17]1

참가 물질

반응물 3

HCID 887Methanol

HCID 6422Trifluoroacetic acid

HCID 584680822-(4-methoxy-benzyl)-6-(4-methylamino-cyclohexyloxy)-2H-isoquinolin-1-one

생성물 1

HCID 59667338trans-6-(4-methylaminocyclohexyloxy)-2H-isoquinolin-1-one

출처 및 근거

ORD 기록: ord-2f631b4797054780a4d71c900353486b
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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