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Dimethyl Sulfoxide → N-[6-chloro-2-(1-hydroxypropan-2-yl)-1-oxoisoquinolin-5-yl]-2-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide

HRID 2332551
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HRID 2332551 반응식
[C:1](=[O:2])([CH3:3])[O:4][CH2:5][CH:6]([CH3:7])[n:8]1[c:9](=[O:34])[c:10]2[cH:11][cH:12][c:13]([Cl:33])[c:14]([NH:18][C:19]([CH2:20][c:21]3[cH:22][c:23]([C:28]([F:29])([F:30])[F:31])[c:24]([F:27])[cH:25][cH:26]3)=[O:32])[c:15]2[cH:16][cH:17]1.[C:35](=[O:36])([O-:37])[O-:38].[CH3:41][OH:42].[CH3:44][S:45]([CH3:46])=[O:47].[K+:39].[K+:40].[OH2:43]>>[OH:4][CH2:5][CH:6]([CH3:7])[n:8]1[c:9](=[O:34])[c:10]2[cH:11][cH:12][c:13]([Cl:33])[c:14]([NH:18][C:19]([CH2:20][c:21]3[cH:22][c:23]([C:28]([F:29])([F:30])[F:31])[c:24]([F:27])[cH:25][cH:26]3)=[O:32])[c:15]2[cH:16][cH:17]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 679Dimethyl SulfoxideHCID 813Potassium Cation2회HCID 887MethanolHCID 962WaterHCID 19660Carbonate IonHCID 666489272-[6-Chloro-5-[[2-[4-fluoro-3-(trifluoromethyl)phenyl]acetyl]amino]-1-oxoisoquinolin-2-yl]propyl acetate

생성물 1

HCID 66649211
N-[6-chloro-2-(1-hydroxypropan-2-yl)-1-oxoisoquinolin-5-yl]-2-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide

출처 및 근거

ORD 기록
ord-7a8685842d694027a3c33cbbcfe1fb1c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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