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Hydrochloric Acid → 2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-[6-methyl-1-oxo-2-(1-piperazin-1-ylpropan-2-yl)isoquinolin-5-yl]acetamide

HRID 835113
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인쇄 미리보기

반응식

HRID 835113 반응식
[CH3:44][OH:45].[ClH:46].[F:1][c:2]1[cH:3][c:4]([CH2:12][C:13](=[O:14])[NH:15][c:16]2[c:17]3[cH:18][cH:19][n:20]([CH:28]([CH2:29][N:30]4[CH2:31][CH2:32][N:33]([C:36]([O:37][C:38]([CH3:39])([CH3:40])[CH3:41])=[O:42])[CH2:34][CH2:35]4)[CH3:43])[c:21](=[O:27])[c:22]3[cH:23][cH:24][c:25]2[CH3:26])[cH:5][cH:6][c:7]1[C:8]([F:9])([F:10])[F:11]>>[F:1][c:2]1[cH:3][c:4]([CH2:12][C:13](=[O:14])[NH:15][c:16]2[c:17]3[cH:18][cH:19][n:20]([CH:28]([CH2:29][N:30]4[CH2:31][CH2:32][NH:33][CH2:34][CH2:35]4)[CH3:43])[c:21](=[O:27])[c:22]3[cH:23][cH:24][c:25]2[CH3:26])[cH:5][cH:6][c:7]1[C:8]([F:9])([F:10])[F:11]
참가 물질출처 및 근거반응 노트

참가 물질

4

반응물 3

HCID 313Hydrochloric AcidHCID 887MethanolHCID 66648917Tert-butyl 4-[2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]acetyl]amino]-6-methyl-1-oxoisoquinolin-2-yl]propyl]piperazine-1-carboxylate

생성물 1

HCID 666487822-[3-fluoro-4-(trifluoromethyl)phenyl]-N-[6-methyl-1-oxo-2-(1-piperazin-1-ylpropan-2-yl)isoquinolin-5-yl]acetamide

출처 및 근거

ORD 기록
ord-a9c72e22f8a243f8b559c1ace89d32a9
출처 데이터셋
Test data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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