Hydrochloric Acid → 6-[(4-amino-1-adamantyl)oxy]-7-chloro-2H-isoquinolin-1-one

반응식

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[n:10][cH:11][cH:12][c:13]2[cH:14][c:15]([O:20][C:21]34[CH2:22][CH:23]5[CH:24]([NH2:31])[CH:25]([CH2:26][CH:27]([CH2:28]3)[CH2:29]5)[CH2:30]4)[c:16]([Cl:19])[cH:17][c:18]12.[CH3:33][CH:34]([OH:35])[CH3:36].[ClH:32]>>[O:8]=[c:9]1[nH:10][cH:11][cH:12][c:13]2[cH:14][c:15]([O:20][C:21]34[CH2:22][CH:23]5[CH:24]([NH2:31])[CH:25]([CH2:26][CH:27]([CH2:28]3)[CH2:29]5)[CH2:30]4)[c:16]([Cl:19])[cH:17][c:18]12

참가 물질

반응물 3

HCID 313Hydrochloric Acid

HCID 3776Isopropanol

HCID 583809205-(1-Benzyloxy-7-chloro-isoquinolin-6-yloxy)-adamantan-2-ylamine

생성물 1

HCID 583809106-[(4-amino-1-adamantyl)oxy]-7-chloro-2H-isoquinolin-1-one

출처 및 근거

ORD 기록: ord-350681e5a5554560aedcbd6c1526422a
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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