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Acetone → 3-[7-[2-(dimethylamino)ethoxy]-1-oxoisoquinolin-2(1H)-yl]-N-ethyl-4-methylbenzamide

HRID 1151968
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HRID 1151968 반응식
[C:32](=[O:33])([O-:34])[O-:35].[CH2:1]([CH3:2])[NH:3][C:4]([c:5]1[cH:6][c:7](-[n:12]2[c:13](=[O:23])[c:14]3[cH:15][c:16]([OH:22])[cH:17][cH:18][c:19]3[cH:20][cH:21]2)[c:8]([CH3:11])[cH:9][cH:10]1)=[O:24].[CH3:26][N:27]([CH2:28][CH2:29][Cl:30])[CH3:31].[CH3:40][C:41](=[O:42])[CH3:43].[ClH:25].[I-:39].[K+:36].[K+:37].[Na+:38]>>[CH2:1]([CH3:2])[NH:3][C:4]([c:5]1[cH:6][c:7](-[n:12]2[c:13](=[O:23])[c:14]3[cH:15][c:16]([O:22][CH2:29][CH2:28][N:27]([CH3:26])[CH3:31])[cH:17][cH:18][c:19]3[cH:20][cH:21]2)[c:8]([CH3:11])[cH:9][cH:10]1)=[O:24]
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 180AcetoneHCID 313Hydrochloric AcidHCID 813Potassium Cation2회HCID 923Sodium IonHCID 79012-Chloro-N,N-dimethylethylamineHCID 19660Carbonate IonHCID 30165Iodide Ion
HCID 11674186
N-Ethyl-3-(7-hydroxy-1-oxoisoquinolin-2(1H)-yl)-4-methylbenzamide

생성물 1

HCID 116325883-[7-[2-(dimethylamino)ethoxy]-1-oxoisoquinolin-2(1H)-yl]-N-ethyl-4-methylbenzamide

출처 및 근거

ORD 기록
ord-bd93c8d310ff4d7583d5642c50e80f47
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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