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Acetonitrile → [4-(2-Azepan-1-yl-ethoxy)-phenyl]-[6-methoxy-2-(2,3,5-trifluorophenyl)-naphthalen-1-yl]-methanone

HRID 2332281
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HRID 2332281 반응식
[Br:41][c:42]1[c:43]([F:50])[c:44]([F:49])[cH:45][c:46]([F:48])[cH:47]1.[CH3:51][C:52]#[N:53].[Cs+:40].[F-:39].[N:1]1([CH2:8][CH2:9][O:10][c:11]2[cH:12][cH:13][c:14]([C:15](=[O:16])[c:17]3[c:18]([O:29][S:30]([C:31]([F:32])([F:33])[F:34])(=[O:35])=[O:36])[cH:19][cH:20][c:21]4[cH:22][c:23]([O:27][CH3:28])[cH:24][cH:25][c:26]34)[cH:37][cH:38]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1.[Pd:54]>>[N:1]1([CH2:8][CH2:9][O:10][c:11]2[cH:12][cH:13][c:14]([C:15](=[O:16])[c:17]3[c:18](-[c:42]4[c:43]([F:50])[c:44]([F:49])[cH:45][c:46]([F:48])[cH:47]4)[cH:19][cH:20][c:21]4[cH:22][c:23]([O:27][CH3:28])[cH:24][cH:25][c:26]34)[cH:37][cH:38]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1
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참가 물질

7

반응물 6

HCID 6342AcetonitrileHCID 23938PalladiumHCID 28179Fluoride IonHCID 104967Cesium cationHCID 27363991-Bromo-2,3,5-trifluorobenzeneHCID 57552509Trifluoromethanesulfonic acid 1-[4-(2-azepan-1-yl-ethoxy)-benzoyl]-6-methoxynaphthalen-2-yl ester

생성물 1

HCID 57552540
[4-(2-Azepan-1-yl-ethoxy)-phenyl]-[6-methoxy-2-(2,3,5-trifluorophenyl)-naphthalen-1-yl]-methanone

출처 및 근거

ORD 기록
ord-d55504fb03ca4a8d8085ded97556979f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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