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Sodium Ion → 6-(2-amino-5-(4-(ethylsulfonyl)phenyl)pyridin-3-yl)-3,4-dihydroisoquinolin-1(2H)-one

HRID 290262
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HRID 290262 반응식
[Br:1][c:2]1[c:3]([NH2:19])[n:4][cH:5][c:6](-[c:8]2[cH:9][cH:10][c:11]([S:14](=[O:15])(=[O:16])[CH2:17][CH3:18])[cH:12][cH:13]2)[cH:7]1.[C:34](=[O:35])([O-:36])[O-:37].[CH3:40][C:41]#[N:42].[Na+:38].[Na+:39].[O:20]=[C:21]1[NH:22][CH2:23][CH2:24][c:25]2[cH:26][c:27]([B:31]([OH:32])[OH:33])[cH:28][cH:29][c:30]21.[OH2:84].[Pd:43]([Cl:44])[Cl:45].[c:46]1([P:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[cH:60][cH:61][cH:62][cH:63][cH:64]1.[c:65]1([P:66]([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[cH:79][cH:80][cH:81][cH:82][cH:83]1>>[c:2]1(-[c:27]2[cH:26][c:25]3[c:30]([cH:29][cH:28]2)[C:21](=[O:20])[NH:22][CH2:23][CH2:24]3)[c:3]([NH2:19])[n:4][cH:5][c:6](-[c:8]2[cH:9][cH:10][c:11]([S:14](=[O:15])(=[O:16])[CH2:17][CH3:18])[cH:12][cH:13]2)[cH:7]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 923Sodium Ion2회HCID 962WaterHCID 6342AcetonitrileHCID 11776Triphenylphosphine2회HCID 19660Carbonate IonHCID 24290Palladium ChlorideHCID 49835905(1-Oxo-1,2,3,4-tetrahydroisoquinolin-6-yl)boronic acid
HCID 70654853
3-Bromo-5-(4-(ethylsulfonyl)phenyl)pyridin-2-amine

생성물 1

HCID 706551996-(2-amino-5-(4-(ethylsulfonyl)phenyl)pyridin-3-yl)-3,4-dihydroisoquinolin-1(2H)-one

출처 및 근거

ORD 기록
ord-fe099e29037040b4916884b05fa65bf0
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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