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Potassium Cation → N-(2-ethylpyridin-4-yl)methyl-2-[6-fluoro-3-(4-fluorobenzyl)-3,4-dihydroisoquinolin-2(1H)-yl]ethanamine

HRID 1227296
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HRID 1227296 반응식
[C:37](=[O:38])([O-:39])[O-:40].[CH2:23]([CH3:24])[c:25]1[n:26][cH:27][cH:28][c:29]([CH2:31][O:32][S:33]([CH3:34])(=[O:35])=[O:36])[cH:30]1.[CH3:43][C:44]#[N:45].[F:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[CH2:8][N:7]([CH2:12][CH2:13][NH2:14])[CH:6]([CH2:15][c:16]1[cH:17][cH:18][c:19]([F:22])[cH:20][cH:21]1)[CH2:5]2.[K+:41].[K+:42]>>[F:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[CH2:8][N:7]([CH2:12][CH2:13][NH:14][CH2:31][c:29]1[cH:28][cH:27][n:26][c:25]([CH2:23][CH3:24])[cH:30]1)[CH:6]([CH2:15][c:16]1[cH:17][cH:18][c:19]([F:22])[cH:20][cH:21]1)[CH2:5]2
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 813Potassium Cation2회HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 593230712-[6-fluoro-3-(4-fluorobenzyl)-3,4-dihydroisoquinolin-2(1H)-yl]ethanamineHCID 59323470HCID 59323470, 화합물

생성물 1

HCID 59323184N-(2-ethylpyridin-4-yl)methyl-2-[6-fluoro-3-(4-fluorobenzyl)-3,4-dihydroisoquinolin-2(1H)-yl]ethanamine

출처 및 근거

ORD 기록
ord-5e857405380c4180b82143ae12b82cc3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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