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Acetic Acid → 7-[3-(tert-butyldimethylsilyloxy)propylamino]-3-(2-trifluoromethylphenyl)-2H-isoquinolin-1-one

HRID 124624
노트
인쇄 미리보기

반응식

HRID 124624 반응식
[C:23]([CH3:24])([CH3:25])([CH3:26])[Si:27]([O:28][CH2:29][CH2:30][CH2:31][OH:32])([CH3:33])[CH3:34].[C:39](=[O:40])([OH:41])[O-:42].[CH3:35][C:36](=[O:37])[OH:38].[CH3:44][OH:45].[NH2:1][c:2]1[cH:3][cH:4][c:5]2[cH:6][c:7](-[c:13]3[c:14]([C:19]([F:20])([F:21])[F:22])[cH:15][cH:16][cH:17][cH:18]3)[nH:8][c:9](=[O:12])[c:10]2[cH:11]1.[Na+:43]>>[NH:1]([c:2]1[cH:3][cH:4][c:5]2[cH:6][c:7](-[c:13]3[c:14]([C:19]([F:20])([F:21])[F:22])[cH:15][cH:16][cH:17][cH:18]3)[nH:8][c:9](=[O:12])[c:10]2[cH:11]1)[CH2:31][CH2:30][CH2:29][O:28][Si:27]([C:23]([CH3:24])([CH3:25])[CH3:26])([CH3:33])[CH3:34]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium IonHCID 40777913-[(Tert-butyldimethylsilyl)oxy]propan-1-olHCID 231567387-amino-3-(2-trifluoromethylphenyl)-2H-isoquinolin-1-one

생성물 1

HCID 57558101
7-[3-(tert-butyldimethylsilyloxy)propylamino]-3-(2-trifluoromethylphenyl)-2H-isoquinolin-1-one

출처 및 근거

ORD 기록
ord-53d77a859cc64bc6bb8b308d5bd7f3d7
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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